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easyconfigs-it4i/m/MRCC/mrcc_files/2/BASIS/Hg
Lukas Krupcik eb1ea94130 merge master
2024-07-25 10:27:17 +02:00

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Hg:cc-pVDZ-PP
Peterson's correlation consistent ECP basis set
4
0 1 2 3
4 4 3 1
8 7 6 1
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0.113016000000 0.393090000000 1.000000000000
0.997400000000
1.000000000000
Hg:cc-pVTZ-PP
Peterson's correlation consistent ECP basis set
5
0 1 2 3 4
5 5 4 2 1
10 9 8 2 1
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1.373700000000
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Hg:cc-pVQZ-PP
Peterson's correlation consistent ECP basis set
6
0 1 2 3 4 5
6 6 5 3 2 1
14 11 10 3 2 1
8630.809999999999 1283.260000000000 283.307000000000 34.663500000000 21.563800000000 13.409100000000 7.820270000000 4.885340000000 1.767140000000 0.964921000000 0.491862000000 0.211477000000 0.091381000000 0.039661000000
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1.000000000000 0.000000000000
0.000000000000 1.000000000000
1.386700000000
1.000000000000
Hg:cc-pV5Z-PP
Peterson's correlation consistent ECP basis set
7
0 1 2 3 4 5 6
7 7 6 4 3 2 1
16 13 11 4 3 2 1
24256.200000000001 3773.480000000000 899.987000000000 252.094000000000 34.357900000000 21.375700000000 13.301100000000 8.243110000000 4.906510000000 1.963230000000 1.203960000000 0.670791000000 0.330466000000 0.156826000000 0.073630000000 0.034494000000
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1.000000000000
Hg:aug-cc-pVDZ-PP
Peterson's correlation consistent ECP basis set
4
0 1 2 3
5 5 4 2
9 8 7 2
41.480400000000 22.532800000000 14.079000000000 5.724740000000 1.479480000000 0.688266000000 0.164181000000 0.057223000000 0.019900000000
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Hg:aug-cc-pVTZ-PP
Peterson's correlation consistent ECP basis set
5
0 1 2 3 4
6 6 5 3 2
11 10 9 3 2
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Hg:aug-cc-pVQZ-PP
Peterson's correlation consistent ECP basis set
6
0 1 2 3 4 5
7 7 6 4 3 2
15 12 11 4 3 2
8630.809999999999 1283.260000000000 283.307000000000 34.663500000000 21.563800000000 13.409100000000 7.820270000000 4.885340000000 1.767140000000 0.964921000000 0.491862000000 0.211477000000 0.091381000000 0.039661000000 0.017200000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
38.293800000000 23.927100000000 14.955500000000 6.315360000000 1.897750000000 1.021490000000 0.551879000000 0.292697000000 0.130492000000 0.058613000000 0.026097000000 0.011600000000
0.002641000000 -0.000297000000 -0.001162000000 -0.004593000000 -0.007532000000 0.000000000000 0.000000000000
-0.021285000000 0.004167000000 0.010859000000 0.028299000000 0.010401000000 0.000000000000 0.000000000000
0.077882000000 -0.019267000000 -0.044097000000 -0.090499000000 0.065739000000 0.000000000000 0.000000000000
-0.299629000000 0.084923000000 0.188124000000 0.363966000000 -0.528310000000 0.000000000000 0.000000000000
0.479616000000 -0.168565000000 -0.408597000000 -1.177746000000 3.137405000000 0.000000000000 0.000000000000
0.470465000000 -0.161875000000 -0.391155000000 -0.206362000000 -3.914224000000 0.000000000000 0.000000000000
0.198510000000 -0.074477000000 0.090775000000 1.616099000000 0.436826000000 0.000000000000 0.000000000000
0.037084000000 0.172128000000 0.671112000000 0.002243000000 1.981600000000 0.000000000000 0.000000000000
0.003868000000 0.433895000000 0.420681000000 -0.851863000000 -0.944414000000 0.000000000000 0.000000000000
-0.000009000000 0.439899000000 0.031537000000 -0.148756000000 -0.338574000000 0.000000000000 0.000000000000
0.000062000000 0.139398000000 0.004527000000 -0.001082000000 0.013865000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
70.149000000000 21.695500000000 13.498600000000 6.704780000000 2.192000000000 1.217150000000 0.660971000000 0.348882000000 0.177063000000 0.084258000000 0.040100000000
0.000087000000 -0.000217000000 -0.000719000000 -0.002396000000 0.000000000000 0.000000000000
-0.000617000000 0.002004000000 0.008866000000 0.031437000000 0.000000000000 0.000000000000
0.009588000000 -0.016165000000 -0.038443000000 -0.045168000000 0.000000000000 0.000000000000
-0.067271000000 0.102723000000 0.178518000000 -0.168111000000 0.000000000000 0.000000000000
0.202997000000 -0.403239000000 -0.995952000000 2.467465000000 0.000000000000 0.000000000000
0.333123000000 -0.552316000000 -0.099717000000 -3.515556000000 0.000000000000 0.000000000000
0.326812000000 0.124276000000 1.372597000000 1.202115000000 0.000000000000 0.000000000000
0.228316000000 0.517071000000 -0.154402000000 1.053506000000 0.000000000000 0.000000000000
0.104417000000 0.349325000000 -0.675106000000 -0.752919000000 0.000000000000 0.000000000000
0.019531000000 0.066053000000 -0.166833000000 -0.287525000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.058500000000 0.884900000000 0.380400000000 0.148600000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.106300000000 0.788000000000 0.360600000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.386700000000 0.654100000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Hg:aug-cc-pV5Z-PP
Peterson's correlation consistent ECP basis set
7
0 1 2 3 4 5 6
8 8 7 5 4 3 2
17 14 12 5 4 3 2
24256.200000000001 3773.480000000000 899.987000000000 252.094000000000 34.357900000000 21.375700000000 13.301100000000 8.243110000000 4.906510000000 1.963230000000 1.203960000000 0.670791000000 0.330466000000 0.156826000000 0.073630000000 0.034494000000 0.016200000000
0.000003000000 -0.000001000000 -0.000002000000 -0.000002000000 0.000006000000 0.000037000000 0.000000000000 0.000000000000
0.000018000000 -0.000007000000 -0.000017000000 -0.000031000000 0.000020000000 -0.000250000000 0.000000000000 0.000000000000
0.000079000000 -0.000029000000 -0.000059000000 -0.000038000000 0.000259000000 0.002336000000 0.000000000000 0.000000000000
0.000241000000 -0.000097000000 -0.000257000000 -0.000531000000 0.000091000000 -0.007153000000 0.000000000000 0.000000000000
0.014945000000 -0.004995000000 -0.008959000000 -0.000266000000 0.047938000000 0.549993000000 0.000000000000 0.000000000000
-0.140231000000 0.049150000000 0.099372000000 0.073199000000 -0.355565000000 -2.969888000000 0.000000000000 0.000000000000
0.491575000000 -0.182730000000 -0.389282000000 -0.366498000000 1.235256000000 8.400139000000 0.000000000000 0.000000000000
-0.362386000000 0.156556000000 0.319082000000 0.109465000000 -1.261405000000 -13.288099000000 0.000000000000 0.000000000000
-0.673812000000 0.241462000000 0.649691000000 1.513721000000 -1.895278000000 9.475952000000 0.000000000000 0.000000000000
0.454201000000 -0.229977000000 -0.794538000000 -3.298582000000 12.323801000000 4.209907000000 0.000000000000 0.000000000000
0.664476000000 -0.345699000000 -1.406067000000 -0.811800000000 -16.178966000000 -18.551476000000 0.000000000000 0.000000000000
0.308955000000 -0.249571000000 0.667534000000 5.225035000000 5.767046000000 22.505830000000 0.000000000000 0.000000000000
0.032181000000 0.116180000000 1.704328000000 -2.153159000000 3.382764000000 -16.432281000000 0.000000000000 0.000000000000
-0.000044000000 0.487172000000 -0.124567000000 -1.737288000000 -4.607045000000 8.490394000000 0.000000000000 0.000000000000
0.000326000000 0.506939000000 -0.801192000000 1.207399000000 1.477398000000 -2.026144000000 0.000000000000 0.000000000000
-0.000062000000 0.136909000000 -0.206647000000 0.319340000000 0.381849000000 -0.336156000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
288.309000000000 36.992400000000 22.799000000000 13.008400000000 8.125970000000 5.077800000000 2.172170000000 1.203730000000 0.632700000000 0.304678000000 0.137895000000 0.061302000000 0.026905000000 0.011800000000
0.000021000000 -0.000006000000 -0.000016000000 0.000040000000 -0.000084000000 0.000753000000 0.000000000000 0.000000000000
0.001808000000 -0.000473000000 -0.000816000000 0.000212000000 0.001277000000 -0.066882000000 0.000000000000 0.000000000000
-0.017354000000 0.004710000000 0.009220000000 -0.010109000000 0.008812000000 0.314100000000 0.000000000000 0.000000000000
0.121032000000 -0.034591000000 -0.071617000000 0.103739000000 -0.147378000000 -1.194648000000 0.000000000000 0.000000000000
-0.188270000000 0.057773000000 0.118949000000 -0.163553000000 0.220708000000 2.440360000000 0.000000000000 0.000000000000
-0.187653000000 0.049953000000 0.117292000000 -0.284296000000 0.667377000000 -1.484478000000 0.000000000000 0.000000000000
0.365165000000 -0.122922000000 -0.289589000000 0.863262000000 -3.338218000000 -3.679973000000 0.000000000000 0.000000000000
0.518401000000 -0.184106000000 -0.485998000000 0.800659000000 2.940963000000 8.150131000000 0.000000000000 0.000000000000
0.281280000000 -0.099869000000 0.012937000000 -1.607330000000 0.775299000000 -7.644118000000 0.000000000000 0.000000000000
0.051717000000 0.144882000000 0.669757000000 -0.340467000000 -2.392782000000 3.869204000000 0.000000000000 0.000000000000
0.002451000000 0.422901000000 0.441298000000 0.944984000000 1.017148000000 -0.522520000000 0.000000000000 0.000000000000
0.000725000000 0.457893000000 0.047094000000 0.157537000000 0.312022000000 -0.615004000000 0.000000000000 0.000000000000
-0.000122000000 0.153656000000 0.002832000000 0.006687000000 0.004208000000 0.025847000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
154.491000000000 37.961400000000 23.380200000000 14.372700000000 6.654150000000 2.202030000000 1.222070000000 0.660098000000 0.346021000000 0.174785000000 0.083113000000 0.039500000000
0.000018000000 0.000004000000 0.000188000000 0.000673000000 0.006065000000 0.000000000000 0.000000000000
0.000349000000 -0.001147000000 -0.005849000000 -0.012405000000 -0.132484000000 0.000000000000 0.000000000000
-0.001499000000 0.004270000000 0.021139000000 0.039463000000 0.448597000000 0.000000000000 0.000000000000
0.009300000000 -0.016149000000 -0.047168000000 -0.030937000000 -0.630265000000 0.000000000000 0.000000000000
-0.066736000000 0.101656000000 0.190593000000 -0.196383000000 0.472366000000 0.000000000000 0.000000000000
0.200736000000 -0.396802000000 -1.058973000000 2.436017000000 1.958628000000 0.000000000000 0.000000000000
0.334635000000 -0.553797000000 -0.018085000000 -3.431387000000 -5.339692000000 0.000000000000 0.000000000000
0.330220000000 0.116563000000 1.351382000000 1.126787000000 6.632664000000 0.000000000000 0.000000000000
0.228798000000 0.531033000000 -0.203881000000 1.123832000000 -4.762076000000 0.000000000000 0.000000000000
0.102569000000 0.341908000000 -0.641963000000 -0.822966000000 1.578743000000 0.000000000000 0.000000000000
0.018604000000 0.062624000000 -0.157949000000 -0.271711000000 0.209273000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.585000000000 1.274500000000 0.628400000000 0.309800000000 0.125800000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.845800000000 1.266800000000 0.563900000000 0.237200000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.188600000000 0.888400000000 0.391500000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.826100000000 0.988800000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Hg:aug-cc-pwCVDZ-PP
Peterson's correlation consistent ECP basis set
4
0 1 2 3
6 6 5 3
10 9 8 3
41.480400000000 22.532800000000 14.079000000000 5.724740000000 2.335900000000 1.479480000000 0.688266000000 0.164181000000 0.057223000000 0.019900000000
0.000000000000 0.010072000000 0.002032000000 0.021828000000 0.000000000000 0.000000000000
0.000000000000 -0.114781000000 -0.032314000000 -0.155564000000 0.000000000000 0.000000000000
0.000000000000 0.356408000000 0.115350000000 0.386025000000 0.000000000000 0.000000000000
0.000000000000 -0.848443000000 -0.317763000000 -0.896104000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.940596000000 0.513523000000 2.332195000000 0.000000000000 0.000000000000
0.000000000000 0.435329000000 0.250050000000 -1.597660000000 0.000000000000 0.000000000000
0.000000000000 0.013178000000 -0.648841000000 -1.053646000000 0.000000000000 0.000000000000
0.000000000000 -0.002314000000 -0.559943000000 1.289536000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
10.580500000000 6.805390000000 2.358500000000 1.790160000000 0.862261000000 0.375277000000 0.128421000000 0.043447000000 0.014700000000
0.000000000000 0.128692000000 0.071468000000 -0.034443000000 0.000000000000 0.000000000000
0.000000000000 -0.360842000000 -0.210859000000 0.100929000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.564117000000 0.445204000000 -0.192439000000 0.000000000000 0.000000000000
0.000000000000 0.500274000000 0.391608000000 -0.196069000000 0.000000000000 0.000000000000
0.000000000000 0.113785000000 -0.667083000000 0.104204000000 0.000000000000 0.000000000000
0.000000000000 0.002939000000 -0.619574000000 0.587387000000 0.000000000000 0.000000000000
0.000000000000 0.000488000000 -0.000909000000 0.472783000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
11.584100000000 7.248790000000 2.222800000000 1.936620000000 0.898748000000 0.386931000000 0.150466000000 0.058500000000
0.000000000000 0.016729000000 -0.024984000000 0.000000000000 0.000000000000
0.000000000000 -0.069558000000 0.104103000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.303437000000 -0.616986000000 0.000000000000 0.000000000000
0.000000000000 0.454878000000 -0.353826000000 0.000000000000 0.000000000000
0.000000000000 0.336808000000 0.687280000000 0.000000000000 0.000000000000
0.000000000000 0.113016000000 0.393090000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.272700000000 0.997400000000 0.437700000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Hg:aug-cc-pwCVTZ-PP
Peterson's correlation consistent ECP basis set
5
0 1 2 3 4
8 8 7 4 3
13 12 11 4 3
98.305800000000 19.640600000000 12.339700000000 7.747820000000 4.862910000000 2.130400000000 1.577190000000 1.337800000000 0.752926000000 0.235112000000 0.103968000000 0.043400000000 0.018100000000
0.000000000000 0.000000000000 0.001033000000 -0.000356000000 -0.000217000000 -0.002093000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.106382000000 0.037909000000 -0.044067000000 0.155783000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.532073000000 -0.200013000000 0.287695000000 -0.795141000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.522324000000 0.224093000000 -0.189476000000 0.997054000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.537321000000 0.179374000000 -0.780704000000 0.592861000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.884788000000 -0.450833000000 2.175604000000 -4.407197000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.513834000000 -0.339055000000 -0.886584000000 5.289837000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.029407000000 0.293414000000 -1.874917000000 -2.886633000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.006159000000 0.644628000000 1.247053000000 0.315874000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.001384000000 0.291626000000 0.352351000000 0.822610000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
21.406500000000 13.392900000000 6.510210000000 2.822800000000 1.822220000000 1.194900000000 0.926507000000 0.455082000000 0.192760000000 0.078689000000 0.031729000000 0.012800000000
0.000000000000 0.000000000000 -0.012837000000 0.006140000000 0.013014000000 0.002669000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.086531000000 -0.048056000000 -0.089097000000 -0.021877000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.308041000000 0.189106000000 0.348020000000 0.086539000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.532794000000 -0.438119000000 -1.218447000000 -0.184768000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.482207000000 -0.432193000000 0.123228000000 -0.177395000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.154695000000 0.457057000000 1.628438000000 0.000977000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.013201000000 0.695357000000 -0.782451000000 0.353603000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000585000000 0.142016000000 -0.511254000000 0.543582000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000020000000 0.002030000000 0.016511000000 0.245539000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
86.988100000000 11.991300000000 6.936480000000 3.715300000000 2.086410000000 1.357300000000 1.076640000000 0.531153000000 0.248808000000 0.108170000000 0.047000000000
0.000000000000 0.000000000000 0.000058000000 0.000050000000 -0.000043000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.012779000000 0.019246000000 0.033760000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.068963000000 -0.103487000000 -0.174610000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.241563000000 0.484769000000 1.201702000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.387858000000 0.506951000000 -0.503093000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.345441000000 -0.362572000000 -1.129999000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.191509000000 -0.572980000000 0.774931000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.046502000000 -0.166637000000 0.365534000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.488200000000 1.347900000000 0.542300000000 0.218200000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.966800000000 1.373700000000 0.636100000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Hg:aug-cc-pwCVQZ-PP
Peterson's correlation consistent ECP basis set
6
0 1 2 3 4 5
9 9 8 5 4 3
17 14 13 5 4 3
8630.809999999999 1283.260000000000 283.307000000000 34.663500000000 21.563800000000 13.409100000000 7.820270000000 4.885340000000 1.767140000000 1.357000000000 0.964921000000 0.849200000000 0.491862000000 0.211477000000 0.091381000000 0.039661000000 0.017200000000
0.000000000000 0.000000000000 0.000009000000 0.000004000000 0.000008000000 0.000009000000 0.000013000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000066000000 0.000025000000 0.000055000000 -0.000559000000 0.000065000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000251000000 0.000097000000 0.000239000000 0.001700000000 0.000417000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.014919000000 0.005152000000 0.010190000000 -0.208109000000 0.007078000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.136211000000 -0.048427000000 -0.102019000000 1.120116000000 -0.105824000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.461366000000 0.172608000000 0.377467000000 -2.963979000000 0.441889000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.369646000000 -0.164616000000 -0.352389000000 4.546385000000 -0.290904000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.629382000000 -0.216879000000 -0.579887000000 -1.796567000000 -1.290693000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.676410000000 0.333315000000 1.228651000000 -7.529717000000 4.531125000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.627835000000 0.379526000000 1.101079000000 14.332340000000 -3.142613000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.140345000000 0.096984000000 -1.851123000000 -11.474485000000 -2.186445000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.004301000000 -0.398608000000 -0.824302000000 4.747996000000 3.503080000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000237000000 -0.616761000000 0.952640000000 -0.355655000000 -0.978636000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.000035000000 -0.223463000000 0.329513000000 -0.735496000000 -0.569166000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
38.293800000000 23.927100000000 14.955500000000 6.315360000000 2.845600000000 1.897750000000 1.780700000000 1.021490000000 0.551879000000 0.292697000000 0.130492000000 0.058613000000 0.026097000000 0.011600000000
0.000000000000 0.000000000000 0.002641000000 -0.001162000000 -0.004593000000 -0.007532000000 -0.000297000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.021285000000 0.010859000000 0.028299000000 0.010401000000 0.004167000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.077882000000 -0.044097000000 -0.090499000000 0.065739000000 -0.019267000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.299629000000 0.188124000000 0.363966000000 -0.528310000000 0.084923000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.479616000000 -0.408597000000 -1.177746000000 3.137405000000 -0.168565000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.470465000000 -0.391155000000 -0.206362000000 -3.914224000000 -0.161875000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.198510000000 0.090775000000 1.616099000000 0.436826000000 -0.074477000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.037084000000 0.671112000000 0.002243000000 1.981600000000 0.172128000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.003868000000 0.420681000000 -0.851863000000 -0.944414000000 0.433895000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.000009000000 0.031537000000 -0.148756000000 -0.338574000000 0.439899000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000062000000 0.004527000000 -0.001082000000 0.013865000000 0.139398000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
70.149000000000 21.695500000000 13.498600000000 6.704780000000 3.977000000000 2.192000000000 1.898500000000 1.217150000000 0.660971000000 0.348882000000 0.177063000000 0.084258000000 0.040100000000
0.000000000000 0.000000000000 0.000087000000 -0.000217000000 -0.002396000000 -0.000719000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.000617000000 0.002004000000 0.031437000000 0.008866000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.009588000000 -0.016165000000 -0.045168000000 -0.038443000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.067271000000 0.102723000000 -0.168111000000 0.178518000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.202997000000 -0.403239000000 2.467465000000 -0.995952000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.333123000000 -0.552316000000 -3.515556000000 -0.099717000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.326812000000 0.124276000000 1.202115000000 1.372597000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.228316000000 0.517071000000 1.053506000000 -0.154402000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.104417000000 0.349325000000 -0.752919000000 -0.675106000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.019531000000 0.066053000000 -0.287525000000 -0.166833000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.770900000000 1.642900000000 0.974100000000 0.380400000000 0.148600000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.269800000000 1.721900000000 0.788000000000 0.360600000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.940000000000 1.386700000000 0.654100000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Hg:aug-cc-pwCV5Z-PP
Peterson's correlation consistent ECP basis set
7
0 1 2 3 4 5 6
10 10 9 6 5 4 3
19 16 14 6 5 4 3
24256.200000000001 3773.480000000000 899.987000000000 252.094000000000 34.357900000000 21.375700000000 13.301100000000 8.243110000000 4.906510000000 1.963230000000 1.825600000000 1.203960000000 1.141400000000 0.670791000000 0.330466000000 0.156826000000 0.073630000000 0.034494000000 0.016200000000
0.000000000000 0.000000000000 0.000003000000 -0.000001000000 -0.000002000000 0.000006000000 -0.000002000000 0.000037000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000018000000 -0.000007000000 -0.000017000000 0.000020000000 -0.000031000000 -0.000250000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000079000000 -0.000029000000 -0.000059000000 0.000259000000 -0.000038000000 0.002336000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000241000000 -0.000097000000 -0.000257000000 0.000091000000 -0.000531000000 -0.007153000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.014945000000 -0.004995000000 -0.008959000000 0.047938000000 -0.000266000000 0.549993000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.140231000000 0.049150000000 0.099372000000 -0.355565000000 0.073199000000 -2.969888000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.491575000000 -0.182730000000 -0.389282000000 1.235256000000 -0.366498000000 8.400139000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.362386000000 0.156556000000 0.319082000000 -1.261405000000 0.109465000000 -13.288099000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.673812000000 0.241462000000 0.649691000000 -1.895278000000 1.513721000000 9.475952000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.454201000000 -0.229977000000 -0.794538000000 12.323801000000 -3.298582000000 4.209907000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.664476000000 -0.345699000000 -1.406067000000 -16.178966000000 -0.811800000000 -18.551476000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.308955000000 -0.249571000000 0.667534000000 5.767046000000 5.225035000000 22.505830000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.032181000000 0.116180000000 1.704328000000 3.382764000000 -2.153159000000 -16.432281000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.000044000000 0.487172000000 -0.124567000000 -4.607045000000 -1.737288000000 8.490394000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000326000000 0.506939000000 -0.801192000000 1.477398000000 1.207399000000 -2.026144000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.000062000000 0.136909000000 -0.206647000000 0.381849000000 0.319340000000 -0.336156000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
288.309000000000 36.992400000000 22.799000000000 13.008400000000 8.125970000000 6.202700000000 5.077800000000 3.882500000000 2.172170000000 1.203730000000 0.632700000000 0.304678000000 0.137895000000 0.061302000000 0.026905000000 0.011800000000
0.000000000000 0.000000000000 0.000021000000 -0.000016000000 0.000040000000 -0.000084000000 0.000753000000 -0.000006000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.001808000000 -0.000816000000 0.000212000000 0.001277000000 -0.066882000000 -0.000473000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.017354000000 0.009220000000 -0.010109000000 0.008812000000 0.314100000000 0.004710000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.121032000000 -0.071617000000 0.103739000000 -0.147378000000 -1.194648000000 -0.034591000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.188270000000 0.118949000000 -0.163553000000 0.220708000000 2.440360000000 0.057773000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.187653000000 0.117292000000 -0.284296000000 0.667377000000 -1.484478000000 0.049953000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.365165000000 -0.289589000000 0.863262000000 -3.338218000000 -3.679973000000 -0.122922000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.518401000000 -0.485998000000 0.800659000000 2.940963000000 8.150131000000 -0.184106000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.281280000000 0.012937000000 -1.607330000000 0.775299000000 -7.644118000000 -0.099869000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.051717000000 0.669757000000 -0.340467000000 -2.392782000000 3.869204000000 0.144882000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.002451000000 0.441298000000 0.944984000000 1.017148000000 -0.522520000000 0.422901000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000725000000 0.047094000000 0.157537000000 0.312022000000 -0.615004000000 0.457893000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.000122000000 0.002832000000 0.006687000000 0.004208000000 0.025847000000 0.153656000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
154.491000000000 37.961400000000 23.380200000000 14.372700000000 6.654150000000 3.798300000000 2.202030000000 2.141700000000 1.222070000000 0.660098000000 0.346021000000 0.174785000000 0.083113000000 0.039500000000
0.000000000000 0.000000000000 0.000018000000 0.000004000000 0.000188000000 0.000673000000 0.006065000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000349000000 -0.001147000000 -0.005849000000 -0.012405000000 -0.132484000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.001499000000 0.004270000000 0.021139000000 0.039463000000 0.448597000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.009300000000 -0.016149000000 -0.047168000000 -0.030937000000 -0.630265000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.066736000000 0.101656000000 0.190593000000 -0.196383000000 0.472366000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.200736000000 -0.396802000000 -1.058973000000 2.436017000000 1.958628000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.334635000000 -0.553797000000 -0.018085000000 -3.431387000000 -5.339692000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.330220000000 0.116563000000 1.351382000000 1.126787000000 6.632664000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.228798000000 0.531033000000 -0.203881000000 1.123832000000 -4.762076000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.102569000000 0.341908000000 -0.641963000000 -0.822966000000 1.578743000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.018604000000 0.062624000000 -0.157949000000 -0.271711000000 0.209273000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.796400000000 2.223700000000 1.302600000000 0.763000000000 0.309800000000 0.125800000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.700900000000 2.227200000000 1.340300000000 0.563900000000 0.237200000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.387300000000 2.016100000000 0.888400000000 0.391500000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.372500000000 1.826100000000 0.988800000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Hg:def2-SV(P)
Weigend and Ahlrichs' Gaussian basis set
3
0 1 2
6 3 2
7 6 5
26.842049000000 10.320909000000 6.365624229100 1.389893209500 0.637067426990 0.160477250980 0.056410423453
-0.026845096483 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.817712781430 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
9.772990000000 7.169095000000 1.755956793100 0.831456704250 0.344949176590 0.070000000000
0.212109405020 0.000000000000 0.000000000000
-0.440263421530 0.000000000000 0.000000000000
0.584063144640 0.000000000000 0.000000000000
0.493597462030 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
4.280000000000 3.480000000000 1.253586992600 0.508413668630 0.185015993880
-0.320334143055 0.000000000000
0.377484702032 0.000000000000
0.483422758782 0.000000000000
0.434935231584 0.000000000000
0.000000000000 1.000000000000
Hg:def2-SVP
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
6 3 2 1
7 6 5 1
26.842049000000 10.320909000000 6.365624229100 1.389893209500 0.637067426990 0.160477250980 0.056410423453
-0.026845096483 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.817712781430 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
9.772990000000 7.169095000000 1.755956793100 0.831456704250 0.344949176590 0.070000000000
0.212109405020 0.000000000000 0.000000000000
-0.440263421530 0.000000000000 0.000000000000
0.584063144640 0.000000000000 0.000000000000
0.493597462030 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
4.280000000000 3.480000000000 1.253586992600 0.508413668630 0.185015993880
-0.320334143055 0.000000000000
0.377484702032 0.000000000000
0.483422758782 0.000000000000
0.434935231584 0.000000000000
0.000000000000 1.000000000000
0.795690000000
1.000000000000
Hg:def2-TZVP
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
6 5 3 1
8 8 6 1
48.013786990000 21.239875095000 15.876100879000 5.518053182000 1.509914547900 0.706834821590 0.162662655760 0.056960589112
0.005800816491 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.173281652350 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.364166850340 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
17.500000000000 15.252594855000 6.440471516900 1.818015992000 0.900679818010 0.413045401220 0.118457026550 0.036087619349
-0.086457187331 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.153273182340 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.302749552490 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.543612850260 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
10.028197701000 7.592066149300 1.914425611800 0.886415521020 0.381542353200 0.148807400860
0.039922353165 0.000000000000 0.000000000000
-0.094774230522 0.000000000000 0.000000000000
0.311641574630 0.000000000000 0.000000000000
0.455670784060 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.795690000000
1.000000000000
Hg:def2-TZVPP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
6 5 3 2 1
8 8 6 2 1
48.013786990000 21.239875095000 15.876100879000 5.518053182000 1.509914547900 0.706834821590 0.162662655760 0.056960589112
0.005800816491 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.173281652350 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.364166850340 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
17.500000000000 15.252594855000 6.440471516900 1.818015992000 0.900679818010 0.413045401220 0.118457026550 0.036087619349
-0.086457187331 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.153273182340 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.302749552490 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.543612850260 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
10.028197701000 7.592066149300 1.914425611800 0.886415521020 0.381542353200 0.148807400860
0.039922353165 0.000000000000 0.000000000000
-0.094774230522 0.000000000000 0.000000000000
0.311641574630 0.000000000000 0.000000000000
0.455670784060 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.552170000000 0.524310000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
1.289500000000
1.000000000000
Hg:def2-QZVP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
7 5 4 3 1
9 8 7 3 1
48.013786990000 21.239875095000 15.876100879000 5.486593942900 1.552176689500 0.747425411870 0.202688384830 0.093376229211 0.041248705609
0.005624140333 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.170540835030 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.359403896610 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
17.500000000000 15.252594855000 6.440471516900 1.818015992000 0.900679818010 0.413045401220 0.118457026550 0.036087619349
-0.086457187331 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.153273182340 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.302749552490 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.543612850260 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
11.888648987000 6.777366095400 2.093494134000 1.081708717600 0.533291360600 0.249841018270 0.108797700630
0.013311219898 0.000000000000 0.000000000000 0.000000000000
-0.073346199848 0.000000000000 0.000000000000 0.000000000000
0.241559867190 0.000000000000 0.000000000000 0.000000000000
0.388659723620 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.889380000000 0.795690000000 0.335100000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.289500000000
1.000000000000
Hg:def2-QZVPP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
7 5 4 4 2
9 8 7 4 2
48.013786990000 21.239875095000 15.876100879000 5.486593942900 1.552176689500 0.747425411870 0.202688384830 0.093376229211 0.041248705609
0.005624140333 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.170540835030 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.359403896610 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
17.500000000000 15.252594855000 6.440471516900 1.818015992000 0.900679818010 0.413045401220 0.118457026550 0.036087619349
-0.086457187331 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.153273182340 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.302749552490 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.543612850260 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
11.888648987000 6.777366095400 2.093494134000 1.081708717600 0.533291360600 0.249841018270 0.108797700630
0.013311219898 0.000000000000 0.000000000000 0.000000000000
-0.073346199848 0.000000000000 0.000000000000 0.000000000000
0.241559867190 0.000000000000 0.000000000000 0.000000000000
0.388659723620 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.889380000000 0.795690000000 0.335100000000 0.141120000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.835850000000 0.722490000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Hg:def2-SVPD
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
6 4 2 1
7 7 5 1
26.842049000000 10.320909000000 6.365624229100 1.389893209500 0.637067426990 0.160477250980 0.056410423453
-0.026845096483 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.817712781430 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
9.772990000000 7.169095000000 1.755956793100 0.831456704250 0.344949176590 0.070000000000 0.155400000000
0.212109405020 0.000000000000 0.000000000000 0.000000000000
-0.440263421530 0.000000000000 0.000000000000 0.000000000000
0.584063144640 0.000000000000 0.000000000000 0.000000000000
0.493597462030 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.280000000000 3.480000000000 1.253586992600 0.508413668630 0.185015993880
-0.320334143055 0.000000000000
0.377484702032 0.000000000000
0.483422758782 0.000000000000
0.434935231584 0.000000000000
0.000000000000 1.000000000000
0.795690000000
1.000000000000
Hg:def2-TZVPD
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
6 6 3 1
8 9 6 1
48.013786990000 21.239875095000 15.876100879000 5.518053182000 1.509914547900 0.706834821590 0.162662655760 0.056960589112
0.005800816491 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.173281652350 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.364166850340 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
17.500000000000 15.252594855000 6.440471516900 1.818015992000 0.900679818010 0.413045401220 0.118457026550 0.036087619349 0.060299307803
-0.086457187331 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.153273182340 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.302749552490 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.543612850260 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
10.028197701000 7.592066149300 1.914425611800 0.886415521020 0.381542353200 0.148807400860
0.039922353165 0.000000000000 0.000000000000
-0.094774230522 0.000000000000 0.000000000000
0.311641574630 0.000000000000 0.000000000000
0.455670784060 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.795690000000
1.000000000000
Hg:def2-TZVPPD
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
6 6 3 2 1
8 9 6 2 1
48.013786990000 21.239875095000 15.876100879000 5.518053182000 1.509914547900 0.706834821590 0.162662655760 0.056960589112
0.005800816491 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.173281652350 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.364166850340 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
17.500000000000 15.252594855000 6.440471516900 1.818015992000 0.900679818010 0.413045401220 0.118457026550 0.036087619349 0.060299307803
-0.086457187331 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.153273182340 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.302749552490 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.543612850260 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
10.028197701000 7.592066149300 1.914425611800 0.886415521020 0.381542353200 0.148807400860
0.039922353165 0.000000000000 0.000000000000
-0.094774230522 0.000000000000 0.000000000000
0.311641574630 0.000000000000 0.000000000000
0.455670784060 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.552170000000 0.524310000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
1.289500000000
1.000000000000
Hg:def2-QZVPD
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
7 5 4 3 1
9 8 7 3 1
48.013786990000 21.239875095000 15.876100879000 5.486593942900 1.552176689500 0.747425411870 0.202688384830 0.093376229211 0.041248705609
0.005624140333 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.170540835030 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.359403896610 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
17.500000000000 15.252594855000 6.440471516900 1.818015992000 0.900679818010 0.413045401220 0.118457026550 0.036087619349
-0.086457187331 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.153273182340 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.302749552490 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.543612850260 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
11.888648987000 6.777366095400 2.093494134000 1.081708717600 0.533291360600 0.249841018270 0.108797700630
0.013311219898 0.000000000000 0.000000000000 0.000000000000
-0.073346199848 0.000000000000 0.000000000000 0.000000000000
0.241559867190 0.000000000000 0.000000000000 0.000000000000
0.388659723620 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.889380000000 0.795690000000 0.335100000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.289500000000
1.000000000000
Hg:def2-QZVPPD
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
7 5 4 4 2
9 8 7 4 2
48.013786990000 21.239875095000 15.876100879000 5.486593942900 1.552176689500 0.747425411870 0.202688384830 0.093376229211 0.041248705609
0.005624140333 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.170540835030 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.359403896610 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
17.500000000000 15.252594855000 6.440471516900 1.818015992000 0.900679818010 0.413045401220 0.118457026550 0.036087619349
-0.086457187331 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.153273182340 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.302749552490 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.543612850260 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
11.888648987000 6.777366095400 2.093494134000 1.081708717600 0.533291360600 0.249841018270 0.108797700630
0.013311219898 0.000000000000 0.000000000000 0.000000000000
-0.073346199848 0.000000000000 0.000000000000 0.000000000000
0.241559867190 0.000000000000 0.000000000000 0.000000000000
0.388659723620 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.889380000000 0.795690000000 0.335100000000 0.141120000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.835850000000 0.722490000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Hg:LANL2DZ
Hay and Wadt's LANL2DZ Gaussian basis set
3
0 1 2
2 2 2
3 3 3
0.527500000000 0.233400000000 0.068610000000
-0.491167600000 0.000000000000
0.604407000000 0.000000000000
0.000000000000 1.000000000000
0.650300000000 0.136800000000 0.042560000000
-0.067227100000 0.000000000000
0.497902300000 0.000000000000
0.000000000000 1.000000000000
1.484000000000 0.560500000000 0.192300000000
0.489992700000 0.000000000000
0.493271100000 0.000000000000
0.000000000000 1.000000000000
Hg:cc-pVDZ-PP-RI
Hattig's auxiliary basis set
6
0 1 2 3 4 5
8 8 6 6 4 2
8 8 6 6 4 2
7.632570000000 4.870190000000 3.361070000000 2.362910000000 1.208700000000 0.567213000000 0.262979000000 0.128970000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
11.413700000000 5.880410000000 3.427810000000 2.184220000000 1.050640000000 0.510168000000 0.232924000000 0.104444000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.867770000000 3.423730000000 2.083930000000 0.962937000000 0.508633000000 0.236478000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
7.518710000000 3.272730000000 1.779640000000 1.009080000000 0.436090000000 0.231459000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.930220000000 2.657750000000 0.724875000000 0.388772000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.565260000000 2.719950000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Hg:cc-pVTZ-PP-RI
Hattig's auxiliary basis set
7
0 1 2 3 4 5 6
10 10 9 7 6 3 2
10 10 9 7 6 3 2
7.127190000000 4.969000000000 3.396290000000 2.161200000000 1.083310000000 0.438545000000 0.218766000000 0.111380000000 0.049765200000 0.029387300000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.781270000000 5.291260000000 3.599810000000 2.084990000000 1.080720000000 0.553989000000 0.255639000000 0.149351000000 0.078938600000 0.039616600000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.233880000000 3.838100000000 2.905910000000 1.653950000000 0.811128000000 0.383519000000 0.225182000000 0.124184000000 0.066959200000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6.556250000000 3.492260000000 2.274810000000 1.126300000000 0.678631000000 0.280527000000 0.112750000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
10.440300000000 4.901400000000 2.903180000000 1.572620000000 0.685197000000 0.327443000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.794050000000 2.499620000000 1.022830000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
3.937720000000 2.123620000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Hg:cc-pVQZ-PP-RI
Hattig's auxiliary basis set
8
0 1 2 3 4 5 6 7
11 11 10 8 7 5 3 2
11 11 10 8 7 5 3 2
12.997600000000 8.206810000000 5.649740000000 3.857220000000 2.269090000000 1.275260000000 0.722885000000 0.343536000000 0.141353000000 0.071478800000 0.037404100000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
11.273700000000 6.736950000000 4.564130000000 3.033030000000 1.988190000000 0.998532000000 0.569511000000 0.318711000000 0.184963000000 0.094862900000 0.046846800000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
12.025800000000 7.142130000000 4.358420000000 2.529240000000 1.753430000000 0.924181000000 0.519539000000 0.295263000000 0.158778000000 0.086696500000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6.848880000000 4.448660000000 3.175550000000 1.916530000000 1.081350000000 0.571711000000 0.318340000000 0.160795000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
14.102900000000 5.344200000000 3.626990000000 2.075380000000 1.035710000000 0.603610000000 0.252672000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6.808750000000 4.718940000000 2.854880000000 1.547070000000 0.717012000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.356190000000 2.313230000000 1.260380000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
4.313090000000 2.128310000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Hg:cc-pV5Z-PP-RI
Hattig's auxiliary basis set
9
0 1 2 3 4 5 6 7 8
12 12 11 10 9 6 4 3 2
12 12 11 10 9 6 4 3 2
16.791600000000 9.744710000000 6.621530000000 4.581200000000 2.564810000000 1.428000000000 0.877032000000 0.555274000000 0.336398000000 0.143238000000 0.062484800000 0.030312200000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
10.470200000000 6.530010000000 5.109780000000 4.058960000000 2.364640000000 1.359760000000 0.786285000000 0.446651000000 0.245947000000 0.141983000000 0.072371100000 0.035402800000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
12.728900000000 7.685640000000 5.377240000000 3.574490000000 1.996940000000 1.375600000000 0.736746000000 0.446113000000 0.239375000000 0.141373000000 0.069928500000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
15.089000000000 8.823110000000 5.330390000000 3.652480000000 2.118890000000 1.365630000000 0.779322000000 0.468577000000 0.239417000000 0.119995000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
14.046500000000 8.325210000000 5.755710000000 3.540610000000 2.128270000000 1.274320000000 0.711062000000 0.432321000000 0.181397000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.102600000000 4.966980000000 3.187780000000 2.096620000000 1.110920000000 0.578764000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.923260000000 3.568740000000 2.008770000000 0.977106000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.849590000000 3.066980000000 1.430920000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
5.047760000000 2.626080000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Hg:aug-cc-pVDZ-PP-RI
Hattig's auxiliary basis set
6
0 1 2 3 4 5
9 9 7 7 5 3
9 9 7 7 5 3
7.632570000000 4.870190000000 3.361070000000 2.362910000000 1.208700000000 0.567213000000 0.262979000000 0.128970000000 0.065624900000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
11.413700000000 5.880410000000 3.427810000000 2.184220000000 1.050640000000 0.510168000000 0.232924000000 0.104444000000 0.055269200000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.867770000000 3.423730000000 2.083930000000 0.962937000000 0.508633000000 0.236478000000 0.126098000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
7.518710000000 3.272730000000 1.779640000000 1.009080000000 0.436090000000 0.231459000000 0.129034000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.930220000000 2.657750000000 0.724875000000 0.388772000000 0.190232000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.565260000000 2.719950000000 0.806215000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Hg:aug-cc-pVTZ-PP-RI
Hattig's auxiliary basis set
7
0 1 2 3 4 5 6
11 11 10 8 7 4 3
11 11 10 8 7 4 3
7.127190000000 4.969000000000 3.396290000000 2.161200000000 1.083310000000 0.438545000000 0.218766000000 0.111380000000 0.049765200000 0.029387300000 0.014703200000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.781270000000 5.291260000000 3.599810000000 2.084990000000 1.080720000000 0.553989000000 0.255639000000 0.149351000000 0.078938600000 0.039616600000 0.019851000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.233880000000 3.838100000000 2.905910000000 1.653950000000 0.811128000000 0.383519000000 0.225182000000 0.124184000000 0.066959200000 0.033553100000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6.556250000000 3.492260000000 2.274810000000 1.126300000000 0.678631000000 0.280527000000 0.112750000000 0.057025400000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
10.440300000000 4.901400000000 2.903180000000 1.572620000000 0.685197000000 0.327443000000 0.166938000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.794050000000 2.499620000000 1.022830000000 0.520887000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.937720000000 2.123620000000 1.082820000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Hg:aug-cc-pVQZ-PP-RI
Hattig's auxiliary basis set
8
0 1 2 3 4 5 6 7
12 12 11 9 8 6 4 3
12 12 11 9 8 6 4 3
12.997600000000 8.206810000000 5.649740000000 3.857220000000 2.269090000000 1.275260000000 0.722885000000 0.343536000000 0.141353000000 0.071478800000 0.037404100000 0.019260000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
11.273700000000 6.736950000000 4.564130000000 3.033030000000 1.988190000000 0.998532000000 0.569511000000 0.318711000000 0.184963000000 0.094862900000 0.046846800000 0.023454600000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
12.025800000000 7.142130000000 4.358420000000 2.529240000000 1.753430000000 0.924181000000 0.519539000000 0.295263000000 0.158778000000 0.086696500000 0.043347600000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6.848880000000 4.448660000000 3.175550000000 1.916530000000 1.081350000000 0.571711000000 0.318340000000 0.160795000000 0.105526000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
14.102900000000 5.344200000000 3.626990000000 2.075380000000 1.035710000000 0.603610000000 0.252672000000 0.165822000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6.808750000000 4.718940000000 2.854880000000 1.547070000000 0.717012000000 0.420389000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.356190000000 2.313230000000 1.260380000000 0.666301000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.313090000000 2.128310000000 1.067550000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Hg:aug-cc-pV5Z-PP-RI
Hattig's auxiliary basis set
9
0 1 2 3 4 5 6 7 8
13 13 12 11 10 7 5 4 3
13 13 12 11 10 7 5 4 3
16.791600000000 9.744710000000 6.621530000000 4.581200000000 2.564810000000 1.428000000000 0.877032000000 0.555274000000 0.336398000000 0.143238000000 0.062484800000 0.030312200000 0.015189900000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
10.470200000000 6.530010000000 5.109780000000 4.058960000000 2.364640000000 1.359760000000 0.786285000000 0.446651000000 0.245947000000 0.141983000000 0.072371100000 0.035402800000 0.017736300000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
12.728900000000 7.685640000000 5.377240000000 3.574490000000 1.996940000000 1.375600000000 0.736746000000 0.446113000000 0.239375000000 0.141373000000 0.069928500000 0.035076900000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
15.089000000000 8.823110000000 5.330390000000 3.652480000000 2.118890000000 1.365630000000 0.779322000000 0.468577000000 0.239417000000 0.119995000000 0.060451500000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
14.046500000000 8.325210000000 5.755710000000 3.540610000000 2.128270000000 1.274320000000 0.711062000000 0.432321000000 0.181397000000 0.095320000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.102600000000 4.966980000000 3.187780000000 2.096620000000 1.110920000000 0.578764000000 0.345760000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.923260000000 3.568740000000 2.008770000000 0.977106000000 0.500027000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.849590000000 3.066980000000 1.430920000000 0.708715000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.047760000000 2.626080000000 1.496320000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Hg:def2-SV(P)-RI
Weigend's auxiliary basis set
5
0 1 2 3 4
8 7 6 3 2
8 7 6 5 4
6.173310610000 4.409507580000 3.149648270000 2.022534140000 0.800977740000 0.455056280000 0.224740020000 0.132484940000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
10.004878800000 4.386945750000 3.133532680000 2.238237630000 0.727728770000 0.499052050000 0.151533970000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.455194880000 3.182282050000 2.110712540000 0.857546330000 0.600739440000 0.275657330000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6.705861700000 2.955424340000 1.600919120000 0.776036870000 0.321791130000
-0.499926370000 0.000000000000 0.000000000000
1.908294990000 0.000000000000 0.000000000000
0.000000000000 0.226642510000 0.000000000000
0.000000000000 0.508780410000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
3.578007280000 2.555719490000 1.019198270000 0.471479690000
-0.084330080000 0.000000000000
1.864175370000 0.000000000000
0.044732040000 0.000000000000
0.000000000000 1.000000000000
Hg:def2-SVP-RI
Weigend's auxiliary basis set
6
0 1 2 3 4 5
8 8 7 5 3 1
8 8 7 5 3 1
4.834540000000 3.902470000000 3.316410000000 2.551300000000 1.377500000000 0.725202000000 0.288587000000 0.119819000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
15.819800000000 8.920860000000 5.320380000000 2.868980000000 2.225790000000 0.537595000000 0.346735000000 0.158999000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
10.185900000000 5.770110000000 3.248010000000 1.924240000000 0.951443000000 0.522271000000 0.269502000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6.958960000000 4.430540000000 2.020410000000 0.906676000000 0.323627000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.531190000000 1.590870000000 0.466327000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.611410000000
1.000000000000
Hg:def2-TZVP-RI
Weigend's auxiliary basis set
6
0 1 2 3 4 5
8 8 7 5 3 2
8 8 7 5 3 2
4.834540000000 3.902470000000 3.316410000000 2.551300000000 1.377500000000 0.725202000000 0.272942000000 0.123999000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
9.949420000000 5.307610000000 3.135390000000 2.122750000000 0.997032000000 0.591454000000 0.220340000000 0.101005000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
10.231200000000 5.813030000000 3.560890000000 1.937810000000 1.011270000000 0.467582000000 0.237963000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
7.507520000000 2.991350000000 1.615530000000 0.875682000000 0.364852000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.422910000000 1.064290000000 0.424266000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.486010000000 1.328550000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Hg:def2-TZVPP-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
8 8 7 5 4 3 1
8 8 7 5 4 3 1
8.692520000000 4.872370000000 3.313990000000 2.161270000000 1.099940000000 0.586653000000 0.265833000000 0.120653000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
19.577000000000 9.588740000000 5.092470000000 2.527490000000 1.647390000000 0.597578000000 0.235577000000 0.113623000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
9.934230000000 5.350460000000 3.305060000000 1.661350000000 0.888469000000 0.449063000000 0.234923000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
7.061020000000 2.628990000000 1.978700000000 0.740990000000 0.403491000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.557280000000 1.748380000000 0.714525000000 0.420942000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.122830000000 2.245660000000 0.971953000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.198000000000
1.000000000000
Hg:def2-QZVPP-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
10 9 8 7 5 5 2
10 9 8 7 5 5 2
10.205900000000 7.823960000000 6.331740000000 3.904630000000 2.008230000000 1.020320000000 0.575861000000 0.254745000000 0.131387000000 0.077409000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
7.267160000000 5.535070000000 4.187880000000 2.690120000000 1.395680000000 0.860611000000 0.509640000000 0.218909000000 0.093193000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
11.836800000000 6.417240000000 3.546270000000 2.432090000000 1.273290000000 0.681211000000 0.341703000000 0.174281000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.511070000000 4.087090000000 2.312150000000 1.271810000000 0.805991000000 0.441605000000 0.217469000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.964930000000 3.296110000000 1.424510000000 0.821053000000 0.412224000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.619020000000 3.244160000000 1.467010000000 0.707621000000 0.339007000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.000790000000 1.272800000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Hg:def2-SVPD-RI
Weigend's auxiliary basis set
6
0 1 2 3 4 5
9 9 8 5 3 1
9 9 8 5 3 1
4.834540000000 3.902470000000 3.316410000000 2.551300000000 1.377500000000 0.725202000000 0.288587000000 0.119819000000 0.029570300000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
15.819800000000 8.920860000000 5.320380000000 2.868980000000 2.225790000000 0.537595000000 0.346735000000 0.158999000000 0.065549100000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
10.185900000000 5.770110000000 3.248010000000 1.924240000000 0.951443000000 0.522271000000 0.269502000000 0.121469000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6.958960000000 4.430540000000 2.020410000000 0.906676000000 0.323627000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.531190000000 1.590870000000 0.466327000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.611410000000
1.000000000000
Hg:def2-TZVPD-RI
Weigend's auxiliary basis set
6
0 1 2 3 4 5
9 9 8 5 3 2
9 9 8 5 3 2
4.834540000000 3.902470000000 3.316410000000 2.551300000000 1.377500000000 0.725202000000 0.272942000000 0.123999000000 0.004665200000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
9.949420000000 5.307610000000 3.135390000000 2.122750000000 0.997032000000 0.591454000000 0.220340000000 0.101005000000 0.013749400000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
10.231200000000 5.813030000000 3.560890000000 1.937810000000 1.011270000000 0.467582000000 0.237963000000 0.080595300000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
7.507520000000 2.991350000000 1.615530000000 0.875682000000 0.364852000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.422910000000 1.064290000000 0.424266000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.486010000000 1.328550000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Hg:def2-TZVPPD-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
9 9 8 5 4 3 1
9 9 8 5 4 3 1
8.692520000000 4.872370000000 3.313990000000 2.161270000000 1.099940000000 0.586653000000 0.265833000000 0.120653000000 0.004665200000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
19.577000000000 9.588740000000 5.092470000000 2.527490000000 1.647390000000 0.597578000000 0.235577000000 0.113623000000 0.013749400000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
9.934230000000 5.350460000000 3.305060000000 1.661350000000 0.888469000000 0.449063000000 0.234923000000 0.080595300000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
7.061020000000 2.628990000000 1.978700000000 0.740990000000 0.403491000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.557280000000 1.748380000000 0.714525000000 0.420942000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.122830000000 2.245660000000 0.971953000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.198000000000
1.000000000000
Hg:def2-QZVPPD-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
10 9 8 7 5 5 2
10 9 8 7 5 5 2
10.205900000000 7.823960000000 6.331740000000 3.904630000000 2.008230000000 1.020320000000 0.575861000000 0.254745000000 0.131387000000 0.077409000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
7.267160000000 5.535070000000 4.187880000000 2.690120000000 1.395680000000 0.860611000000 0.509640000000 0.218909000000 0.093193000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
11.836800000000 6.417240000000 3.546270000000 2.432090000000 1.273290000000 0.681211000000 0.341703000000 0.174281000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.511070000000 4.087090000000 2.312150000000 1.271810000000 0.805991000000 0.441605000000 0.217469000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.964930000000 3.296110000000 1.424510000000 0.821053000000 0.412224000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.619020000000 3.244160000000 1.467010000000 0.707621000000 0.339007000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.000790000000 1.272800000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Hg:def2-QZVPP-RI-JK
Weigend's Coulomb/exchange fitting basis set
7
0 1 2 3 4 5 6
13 11 10 8 4 3 2
13 12 11 9 5 3 2
31.910995500000 19.691345800000 12.151171900000 7.498388000000 4.627260000000 2.855521300000 1.762185800000 1.087481900000 0.671113000000 0.414163500000 0.255593600000 0.157735400000 0.097343900000
0.129600765200 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.991566256800 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
53.255448900000 29.576272600000 16.425966400000 9.122747700000 5.066718700000 2.814060700000 1.562949000000 0.868080500000 0.482145600000 0.267792600000 0.148737400000 0.082611800000
0.192745320600 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.981248817300 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
32.314648200000 17.946548100000 9.967148400000 5.535647500000 3.074485400000 1.707583500000 0.948409600000 0.526760800000 0.292572500000 0.162500600000 0.090256200000
0.264420608900 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.964407456200 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
18.627385400000 9.885679400000 5.245860700000 2.648671300000 1.210538000000 0.642483300000 0.340953500000 0.172156600000 0.091360800000
0.276253543400 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.954187126400 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.114938711800 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6.976514500000 3.168329800000 1.590199400000 0.762766400000 0.384919300000
0.164493070700 0.000000000000 0.000000000000 0.000000000000
-0.986378238700 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.635285524500 1.322126352900 0.663312600000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.953644579200 0.778823900000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Hg:def2-QZVPP-RI-J
Weigend's Coulomb fitting basis set
5
0 1 2 3 4
8 5 5 2 3
11 5 5 3 3
27.872949900000 16.395852400000 9.644618800000 5.673305000000 1.963081200000 1.154753600000 0.679266800000 0.399568700000 0.235040400000 0.138259100000 0.081328900000
0.333117400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-2.573049900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
8.419681900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-10.673597900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 4.238517500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 2.149334100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.660530300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.364190000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.109252800000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.040015600000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.003742500000
1.694307000000 0.836276300000 0.405993100000 0.195177900000 0.093526200000
-0.018414500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.026038700000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.018970200000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.018893100000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.002539500000
8.384882400000 2.908351800000 0.994612800000 0.337300200000 0.114069900000
-0.008480000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.030047400000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.029390100000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.008954000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001733900000
3.782641300000 0.875737100000 0.203788400000
0.001496700000 0.000000000000
-0.000076800000 0.000000000000
0.000000000000 -0.000612900000
5.162389800000 1.999287600000 0.779216700000
0.000399400000 0.000000000000 0.000000000000
0.000000000000 0.003312500000 0.000000000000
0.000000000000 0.000000000000 -0.001315900000
Hg:def2-ECP-60
Stuttgart-Koeln ECP
*
NCORE = 60 LMAX =3
f-ul
30.364996430000 2 3.885791120000
s-ul
275.737211740000 2 12.981548700000
49.089212490000 2 6.490774400000
-30.364996430000 2 3.885791120000
p-ul
241.540073980000 2 10.538095800000
27.396590810000 2 5.269047900000
-30.364996430000 2 3.885791120000
d-ul
127.867007610000 2 8.101720510000
16.608311510000 2 4.050860260000
-30.364996430000 2 3.885791120000
*
Hg:LANL2DZ-ECP-68
LANL2DZ ECP
*
NCORE = 68 LMAX =4
g-ul
-0.170337200000 0 318.346038500000
-24.518967600000 1 95.618719100000
-28.230532800000 1 17.565263100000
-50.216021700000 2 8.633679600000
-13.832553400000 2 3.002551500000
-1.397726100000 2 1.100482700000
s-ul
2.744042100000 0 180.008201800000
68.867134300000 1 60.978206300000
246.800607300000 2 22.944466800000
97.786420600000 2 6.868145700000
26.546589400000 2 1.334523100000
p-ul
1.944652500000 0 260.548136500000
64.931582200000 1 89.572895900000
272.352179000000 2 37.146144100000
138.579442600000 2 12.496035900000
41.215819900000 2 3.783347500000
15.171275600000 2 0.904199300000
d-ul
3.115349300000 0 72.058623200000
44.558021700000 1 53.876873800000
230.258830700000 2 19.655698900000
98.527115600000 2 3.438673400000
-43.371893700000 2 2.755207200000
-0.326088000000 2 0.492326200000
f-ul
4.002724900000 0 86.900848100000
53.960022000000 1 31.384480900000
25.275602600000 2 33.568331900000
145.918422800000 2 10.604695700000
11.763763600000 2 2.212123000000
-0.675973600000 2 0.767050000000
*
Hg:MCDHF-ECP-60
Stuttgart-Koeln MCDFH ECP
*
NCORE = 60 LMAX =5
h-ul
0.000000000000 2 1.000000000000
s-ul
275.774797000000 2 12.413071000000
49.267898000000 2 6.897913000000
p-ul
80.506984000000 2 11.310320000000
161.034824000000 2 10.210773000000
9.083416000000 2 5.939804000000
18.367773000000 2 5.019755000000
d-ul
51.137256000000 2 8.407895000000
76.707459000000 2 8.214086000000
6.561821000000 2 4.012612000000
9.818070000000 2 3.795398000000
f-ul
9.429001000000 2 3.273106000000
12.494856000000 2 3.208321000000
g-ul
-6.338414000000 2 4.485296000000
-8.099863000000 2 4.513200000000
*
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