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

2813 lines
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Au:cc-pVDZ-PP
Peterson's correlation consistent ECP basis set
4
0 1 2 3
4 4 3 1
8 7 6 1
38.000800000000 23.972500000000 15.218200000000 5.539990000000 1.385510000000 0.642461000000 0.156496000000 0.054910000000
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0.344224000000 0.619165000000 0.000000000000
0.121256000000 0.468276000000 1.000000000000
0.891900000000
1.000000000000
Au: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
36.012600000000 22.564500000000 14.162000000000 8.854870000000 5.060720000000 1.474050000000 0.704913000000 0.217787000000 0.097408000000 0.041214000000
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1.438500000000 0.487800000000
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1.225700000000
1.000000000000
Au: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
1403.840000000000 98.865500000000 61.610300000000 38.467000000000 24.023000000000 14.925100000000 7.397950000000 4.621920000000 1.719610000000 0.955604000000 0.495584000000 0.203770000000 0.088332000000 0.038380000000
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1.872500000000 0.796000000000 0.338400000000
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1.903700000000 0.701800000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
1.267200000000
1.000000000000
Au: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
2324.040000000000 917.020000000000 99.309100000000 61.757600000000 38.372200000000 23.962900000000 14.851800000000 7.974800000000 4.797900000000 1.762450000000 1.092730000000 0.630558000000 0.322050000000 0.150028000000 0.070759000000 0.033387000000
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0.000000000000 1.000000000000
1.682200000000
1.000000000000
Au:aug-cc-pVDZ-PP
Peterson's correlation consistent ECP basis set
4
0 1 2 3
5 5 4 2
9 8 7 2
38.000800000000 23.972500000000 15.218200000000 5.539990000000 1.385510000000 0.642461000000 0.156496000000 0.054910000000 0.019300000000
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10.309200000000 6.627650000000 1.674470000000 0.801116000000 0.346879000000 0.122701000000 0.042428000000 0.014700000000
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0.891900000000 0.378900000000
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Au: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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Au: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
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
38.238400000000 23.897500000000 14.941100000000 6.097460000000 1.776450000000 0.943333000000 0.507586000000 0.278819000000 0.126561000000 0.057630000000 0.025894000000 0.011600000000
0.002544000000 -0.000358000000 -0.001307000000 -0.004557000000 0.010605000000 0.000000000000 0.000000000000
-0.021220000000 0.004625000000 0.011930000000 0.028631000000 -0.020548000000 0.000000000000 0.000000000000
0.074537000000 -0.019490000000 -0.044856000000 -0.087977000000 -0.048013000000 0.000000000000 0.000000000000
-0.290471000000 0.085473000000 0.190979000000 0.357788000000 0.493240000000 0.000000000000 0.000000000000
0.485998000000 -0.176027000000 -0.438661000000 -1.237750000000 -3.113512000000 0.000000000000 0.000000000000
0.466823000000 -0.170945000000 -0.396048000000 -0.070064000000 4.146310000000 0.000000000000 0.000000000000
0.190562000000 -0.070578000000 0.130271000000 1.625653000000 -0.818084000000 0.000000000000 0.000000000000
0.036829000000 0.178183000000 0.660472000000 -0.106124000000 -1.788302000000 0.000000000000 0.000000000000
0.005026000000 0.437594000000 0.409081000000 -0.814274000000 0.855275000000 0.000000000000 0.000000000000
-0.000242000000 0.435712000000 0.030601000000 -0.172926000000 0.401442000000 0.000000000000 0.000000000000
0.000134000000 0.134498000000 0.004649000000 0.001869000000 -0.021797000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
63.811200000000 20.758200000000 12.914300000000 6.355710000000 2.070870000000 1.137690000000 0.606778000000 0.312442000000 0.154044000000 0.071119000000 0.032800000000
0.000080000000 -0.000187000000 0.000671000000 0.000976000000 0.000000000000 0.000000000000
-0.000748000000 0.001880000000 -0.007816000000 -0.011192000000 0.000000000000 0.000000000000
0.009517000000 -0.014483000000 0.033394000000 -0.000008000000 0.000000000000 0.000000000000
-0.066054000000 0.092421000000 -0.159227000000 0.204367000000 0.000000000000 0.000000000000
0.194651000000 -0.336404000000 0.819920000000 -2.094597000000 0.000000000000 0.000000000000
0.328469000000 -0.529896000000 0.296238000000 2.449643000000 0.000000000000 0.000000000000
0.331178000000 0.032605000000 -1.209424000000 -0.119904000000 0.000000000000 0.000000000000
0.238278000000 0.486965000000 -0.097586000000 -1.345808000000 0.000000000000 0.000000000000
0.112673000000 0.397197000000 0.632627000000 0.474717000000 0.000000000000 0.000000000000
0.021686000000 0.101790000000 0.278838000000 0.492767000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.872500000000 0.796000000000 0.338400000000 0.132300000000
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
1.903700000000 0.701800000000 0.312200000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.267200000000 0.584400000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Au: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
2324.040000000000 917.020000000000 99.309100000000 61.757600000000 38.372200000000 23.962900000000 14.851800000000 7.974800000000 4.797900000000 1.762450000000 1.092730000000 0.630558000000 0.322050000000 0.150028000000 0.070759000000 0.033387000000 0.015800000000
0.000003000000 -0.000001000000 0.000001000000 -0.000009000000 0.000020000000 0.000416000000 0.000000000000 0.000000000000
0.000007000000 -0.000002000000 -0.000014000000 0.000041000000 -0.000034000000 -0.001166000000 0.000000000000 0.000000000000
0.000734000000 -0.000258000000 0.000250000000 -0.002085000000 0.004087000000 0.093678000000 0.000000000000 0.000000000000
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0.038585000000 -0.012944000000 -0.013872000000 -0.009361000000 0.085839000000 1.441271000000 0.000000000000 0.000000000000
-0.186518000000 0.063963000000 0.105035000000 -0.086115000000 -0.297888000000 -2.999763000000 0.000000000000 0.000000000000
0.446147000000 -0.158402000000 -0.289748000000 0.317226000000 0.663054000000 4.512653000000 0.000000000000 0.000000000000
-0.276723000000 0.111538000000 0.179651000000 -0.093372000000 -0.376995000000 -5.693709000000 0.000000000000 0.000000000000
-0.668985000000 0.243318000000 0.594352000000 -1.170394000000 -1.739947000000 2.495118000000 0.000000000000 0.000000000000
0.513341000000 -0.255784000000 -0.748872000000 2.565019000000 8.449349000000 12.907836000000 0.000000000000 0.000000000000
0.592901000000 -0.301493000000 -1.128184000000 1.064146000000 -8.569874000000 -27.476870000000 0.000000000000 0.000000000000
0.292254000000 -0.243569000000 0.335659000000 -4.068461000000 -1.140438000000 23.566743000000 0.000000000000 0.000000000000
0.036802000000 0.091991000000 1.568505000000 0.416344000000 5.715493000000 -10.064798000000 0.000000000000 0.000000000000
0.001827000000 0.468612000000 0.260950000000 2.212753000000 -2.715545000000 0.489419000000 0.000000000000 0.000000000000
0.001739000000 0.518993000000 -0.775861000000 -0.416873000000 -1.237756000000 2.983785000000 0.000000000000 0.000000000000
0.000347000000 0.158735000000 -0.392800000000 -0.885101000000 1.521957000000 -1.777764000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
328.781000000000 34.463400000000 21.524500000000 13.446200000000 8.399370000000 5.210590000000 2.039700000000 1.169030000000 0.636220000000 0.322119000000 0.144372000000 0.063759000000 0.027722000000 0.012100000000
0.000010000000 -0.000003000000 -0.000010000000 -0.000025000000 0.000059000000 -0.000504000000 0.000000000000 0.000000000000
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0.118991000000 -0.035168000000 -0.070957000000 -0.098694000000 0.123173000000 1.192639000000 0.000000000000 0.000000000000
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0.344898000000 -0.121449000000 -0.295290000000 -0.835621000000 3.357716000000 4.572396000000 0.000000000000 0.000000000000
0.486617000000 -0.177929000000 -0.467008000000 -0.831776000000 -2.809206000000 -9.411330000000 0.000000000000 0.000000000000
0.299908000000 -0.120027000000 -0.067500000000 1.476638000000 -1.228012000000 8.226602000000 0.000000000000 0.000000000000
0.071287000000 0.118053000000 0.651792000000 0.553605000000 2.520006000000 -3.402811000000 0.000000000000 0.000000000000
0.005231000000 0.417891000000 0.498727000000 -0.937779000000 -0.747972000000 -0.210651000000 0.000000000000 0.000000000000
0.000576000000 0.477842000000 0.057968000000 -0.239393000000 -0.473181000000 0.926645000000 0.000000000000 0.000000000000
-0.000051000000 0.167144000000 0.003923000000 -0.001611000000 0.012359000000 -0.053816000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
62.030900000000 21.098800000000 13.120000000000 6.312570000000 2.141450000000 1.299370000000 0.810358000000 0.472707000000 0.255648000000 0.130895000000 0.062779000000 0.030100000000
0.000086000000 -0.000159000000 0.000597000000 0.000522000000 0.006645000000 0.000000000000 0.000000000000
-0.000796000000 0.001475000000 -0.006535000000 -0.006381000000 -0.072830000000 0.000000000000 0.000000000000
0.009136000000 -0.012851000000 0.029495000000 0.038985000000 0.133493000000 0.000000000000 0.000000000000
-0.066301000000 0.090969000000 -0.158100000000 -0.260786000000 0.113624000000 0.000000000000 0.000000000000
0.165563000000 -0.274077000000 0.691427000000 2.035288000000 -3.889724000000 0.000000000000 0.000000000000
0.241441000000 -0.444884000000 0.591997000000 -1.399120000000 7.904899000000 0.000000000000 0.000000000000
0.271022000000 -0.202324000000 -0.776642000000 -1.415319000000 -5.674397000000 0.000000000000 0.000000000000
0.268013000000 0.220378000000 -0.738404000000 1.166861000000 0.485667000000 0.000000000000 0.000000000000
0.186875000000 0.485503000000 0.183170000000 0.770311000000 1.229852000000 0.000000000000 0.000000000000
0.081314000000 0.301647000000 0.587885000000 -0.653150000000 -0.071889000000 0.000000000000 0.000000000000
0.013419000000 0.066884000000 0.184543000000 -0.342561000000 -0.653156000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.307800000000 1.133800000000 0.557100000000 0.273700000000 0.109500000000
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
2.557000000000 1.130200000000 0.499600000000 0.206500000000
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
2.014800000000 0.810700000000 0.352500000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.682200000000 0.891900000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Au:aug-cc-pwCVDZ-PP
Peterson's correlation consistent ECP basis set
4
0 1 2 3
6 6 5 3
10 9 8 3
38.000800000000 23.972500000000 15.218200000000 5.539990000000 2.064300000000 1.385510000000 0.642461000000 0.156496000000 0.054910000000 0.019300000000
0.000000000000 0.020009000000 -0.005304000000 0.000000000000 0.032340000000 0.000000000000
0.000000000000 -0.151679000000 0.046318000000 0.000000000000 -0.171762000000 0.000000000000
0.000000000000 0.363960000000 -0.119940000000 0.000000000000 0.339503000000 0.000000000000
0.000000000000 -0.821326000000 0.304062000000 0.000000000000 -0.746179000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.936641000000 -0.494501000000 0.000000000000 1.917498000000 0.000000000000
0.000000000000 0.423527000000 -0.255516000000 0.000000000000 -1.129931000000 0.000000000000
0.000000000000 0.016250000000 0.609163000000 0.000000000000 -1.366284000000 0.000000000000
0.000000000000 -0.000978000000 0.597767000000 1.000000000000 1.442391000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
10.309200000000 6.627650000000 2.260600000000 1.674470000000 0.801116000000 0.346879000000 0.122701000000 0.042428000000 0.014700000000
0.000000000000 0.128217000000 -0.077242000000 -0.035885000000 0.000000000000 0.000000000000
0.000000000000 -0.353790000000 0.222611000000 0.102890000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.566211000000 -0.495353000000 -0.200988000000 0.000000000000 0.000000000000
0.000000000000 0.493171000000 -0.360747000000 -0.201045000000 0.000000000000 0.000000000000
0.000000000000 0.113775000000 0.710000000000 0.116549000000 0.000000000000 0.000000000000
0.000000000000 0.002534000000 0.568839000000 0.594969000000 0.000000000000 0.000000000000
0.000000000000 0.000679000000 0.001193000000 0.455520000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
11.002700000000 6.891660000000 2.016700000000 1.808080000000 0.821051000000 0.344161000000 0.129743000000 0.048900000000
0.000000000000 0.016467000000 -0.023628000000 0.000000000000 0.000000000000
0.000000000000 -0.068013000000 0.095672000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.299492000000 -0.541294000000 0.000000000000 0.000000000000
0.000000000000 0.454303000000 -0.395533000000 0.000000000000 0.000000000000
0.000000000000 0.344224000000 0.619165000000 0.000000000000 0.000000000000
0.000000000000 0.121256000000 0.468276000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.099500000000 0.891900000000 0.378900000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Au: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
36.012600000000 22.564500000000 14.162000000000 8.854870000000 5.060720000000 1.983400000000 1.474050000000 1.244800000000 0.704913000000 0.217787000000 0.097408000000 0.041214000000 0.017400000000
0.000000000000 0.000000000000 0.019029000000 -0.006777000000 0.003909000000 -0.011914000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.167800000000 0.060008000000 0.033760000000 0.133069000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.496677000000 -0.183328000000 -0.166060000000 -0.434287000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.266256000000 0.114719000000 -0.051789000000 0.170157000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.699898000000 0.248822000000 0.795023000000 1.064756000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.873108000000 -0.437671000000 -1.805927000000 -4.005536000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.502582000000 -0.331108000000 0.561239000000 4.402832000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.032196000000 0.274181000000 1.878427000000 -1.432163000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.005503000000 0.637738000000 -0.969229000000 -1.143255000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.002519000000 0.309236000000 -0.575635000000 1.390869000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
21.595400000000 13.514500000000 6.255140000000 2.663700000000 1.718140000000 1.141000000000 0.869439000000 0.426759000000 0.184297000000 0.076379000000 0.031220000000 0.012800000000
0.000000000000 0.000000000000 -0.013218000000 0.007086000000 0.012920000000 0.003080000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.080196000000 -0.047493000000 -0.082029000000 -0.021406000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.296686000000 0.191893000000 0.338619000000 0.086776000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.528959000000 -0.463637000000 -1.254992000000 -0.189774000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.478889000000 -0.435138000000 0.225813000000 -0.185835000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.157620000000 0.494403000000 1.575879000000 0.004780000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.013897000000 0.675114000000 -0.804354000000 0.363836000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000835000000 0.131536000000 -0.507313000000 0.541764000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.000029000000 0.002471000000 0.010204000000 0.234561000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
87.020800000000 11.066800000000 6.660470000000 3.469600000000 1.946960000000 1.217100000000 0.984706000000 0.474655000000 0.216558000000 0.091472000000 0.038600000000
0.000000000000 0.000000000000 0.000044000000 -0.000031000000 -0.000044000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.014288000000 -0.019959000000 0.035083000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.068876000000 0.095320000000 -0.161942000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.239559000000 -0.421343000000 1.042155000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.387323000000 -0.506933000000 -0.264865000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.348756000000 0.285466000000 -1.116305000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.198492000000 0.582565000000 0.545762000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.049879000000 0.219462000000 0.499622000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.316100000000 1.235300000000 0.487800000000 0.192600000000
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
2.728300000000 1.225700000000 0.550700000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Au: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
1403.840000000000 98.865500000000 61.610300000000 38.467000000000 24.023000000000 14.925100000000 7.397950000000 4.621920000000 1.719610000000 1.234000000000 0.955604000000 0.772300000000 0.495584000000 0.203770000000 0.088332000000 0.038380000000 0.016700000000
0.000000000000 0.000000000000 0.000009000000 -0.000003000000 -0.000006000000 -0.000016000000 0.000038000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000740000000 -0.000287000000 -0.000654000000 0.001407000000 -0.015850000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.005943000000 0.002148000000 0.004596000000 -0.006325000000 0.086428000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.038444000000 -0.013258000000 -0.026911000000 -0.000593000000 -0.265571000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.184722000000 0.063900000000 0.128420000000 0.107411000000 0.641134000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.432654000000 -0.153900000000 -0.311522000000 -0.345510000000 -1.095147000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.338550000000 0.137055000000 0.272377000000 0.203807000000 1.158613000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.603872000000 0.215048000000 0.500643000000 1.111297000000 1.045789000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.621398000000 -0.297498000000 -0.848152000000 -3.199130000000 -8.330135000000 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 0.641389000000 -0.371944000000 -1.304741000000 0.813451000000 11.846977000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.174240000000 -0.132663000000 1.462214000000 3.181468000000 -5.977621000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.008493000000 0.360188000000 1.143878000000 -2.454102000000 -0.700339000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.001592000000 0.623471000000 -0.758421000000 -0.496033000000 3.103334000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000713000000 0.254044000000 -0.563408000000 1.226041000000 -1.829348000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
38.238400000000 23.897500000000 14.941100000000 6.097460000000 2.693700000000 1.776450000000 1.685700000000 0.943333000000 0.507586000000 0.278819000000 0.126561000000 0.057630000000 0.025894000000 0.011600000000
0.000000000000 0.000000000000 0.002544000000 -0.001307000000 -0.004557000000 0.010605000000 -0.000358000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.021220000000 0.011930000000 0.028631000000 -0.020548000000 0.004625000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.074537000000 -0.044856000000 -0.087977000000 -0.048013000000 -0.019490000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.290471000000 0.190979000000 0.357788000000 0.493240000000 0.085473000000 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 0.485998000000 -0.438661000000 -1.237750000000 -3.113512000000 -0.176027000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.466823000000 -0.396048000000 -0.070064000000 4.146310000000 -0.170945000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.190562000000 0.130271000000 1.625653000000 -0.818084000000 -0.070578000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.036829000000 0.660472000000 -0.106124000000 -1.788302000000 0.178183000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.005026000000 0.409081000000 -0.814274000000 0.855275000000 0.437594000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.000242000000 0.030601000000 -0.172926000000 0.401442000000 0.435712000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
63.811200000000 20.758200000000 12.914300000000 6.355710000000 3.714900000000 2.070870000000 1.692000000000 1.137690000000 0.606778000000 0.312442000000 0.154044000000 0.071119000000 0.032800000000
0.000000000000 0.000000000000 0.000080000000 -0.000187000000 0.000671000000 0.000976000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.000748000000 0.001880000000 -0.007816000000 -0.011192000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.009517000000 -0.014483000000 0.033394000000 -0.000008000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.066054000000 0.092421000000 -0.159227000000 0.204367000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.194651000000 -0.336404000000 0.819920000000 -2.094597000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.328469000000 -0.529896000000 0.296238000000 2.449643000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.331178000000 0.032605000000 -1.209424000000 -0.119904000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.238278000000 0.486965000000 -0.097586000000 -1.345808000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.112673000000 0.397197000000 0.632627000000 0.474717000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.021686000000 0.101790000000 0.278838000000 0.492767000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.577400000000 1.493500000000 0.865400000000 0.338400000000 0.132300000000
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
3.036800000000 1.577500000000 0.701800000000 0.312200000000
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
2.747700000000 1.267200000000 0.584400000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Au: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
2324.040000000000 917.020000000000 99.309100000000 61.757600000000 38.372200000000 23.962900000000 14.851800000000 7.974800000000 6.315600000000 4.797900000000 3.947200000000 1.762450000000 1.092730000000 0.630558000000 0.322050000000 0.150028000000 0.070759000000 0.033387000000 0.015800000000
0.000000000000 0.000000000000 0.000003000000 -0.000001000000 0.000001000000 0.000416000000 -0.000009000000 0.000020000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000007000000 -0.000002000000 -0.000014000000 -0.001166000000 0.000041000000 -0.000034000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000734000000 -0.000258000000 0.000250000000 0.093678000000 -0.002085000000 0.004087000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.005878000000 0.001986000000 -0.000151000000 -0.494987000000 0.009691000000 -0.022646000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.038585000000 -0.012944000000 -0.013872000000 1.441271000000 -0.009361000000 0.085839000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.186518000000 0.063963000000 0.105035000000 -2.999763000000 -0.086115000000 -0.297888000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.446147000000 -0.158402000000 -0.289748000000 4.512653000000 0.317226000000 0.663054000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.276723000000 0.111538000000 0.179651000000 -5.693709000000 -0.093372000000 -0.376995000000 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 -0.668985000000 0.243318000000 0.594352000000 2.495118000000 -1.170394000000 -1.739947000000 0.000000000000 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 0.513341000000 -0.255784000000 -0.748872000000 12.907836000000 2.565019000000 8.449349000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.592901000000 -0.301493000000 -1.128184000000 -27.476870000000 1.064146000000 -8.569874000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.292254000000 -0.243569000000 0.335659000000 23.566743000000 -4.068461000000 -1.140438000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.036802000000 0.091991000000 1.568505000000 -10.064798000000 0.416344000000 5.715493000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.001827000000 0.468612000000 0.260950000000 0.489419000000 2.212753000000 -2.715545000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.001739000000 0.518993000000 -0.775861000000 2.983785000000 -0.416873000000 -1.237756000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000347000000 0.158735000000 -0.392800000000 -1.777764000000 -0.885101000000 1.521957000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
328.781000000000 34.463400000000 21.524500000000 13.446200000000 8.399370000000 5.985900000000 5.210590000000 3.745100000000 2.039700000000 1.169030000000 0.636220000000 0.322119000000 0.144372000000 0.063759000000 0.027722000000 0.012100000000
0.000000000000 0.000000000000 0.000010000000 -0.000010000000 0.000059000000 -0.000025000000 -0.000504000000 -0.000003000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.002188000000 -0.000898000000 -0.002374000000 -0.000183000000 0.072152000000 -0.000605000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.024715000000 0.013186000000 -0.009752000000 0.014801000000 -0.391888000000 0.007045000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.118991000000 -0.070957000000 0.123173000000 -0.098694000000 1.192639000000 -0.035168000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.138311000000 0.086963000000 -0.105543000000 0.109770000000 -1.997909000000 0.044035000000 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 -0.216119000000 0.145404000000 -0.708634000000 0.309270000000 0.888480000000 0.061598000000 0.000000000000 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 0.344898000000 -0.295290000000 3.357716000000 -0.835621000000 4.572396000000 -0.121449000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.486617000000 -0.467008000000 -2.809206000000 -0.831776000000 -9.411330000000 -0.177929000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.299908000000 -0.067500000000 -1.228012000000 1.476638000000 8.226602000000 -0.120027000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.071287000000 0.651792000000 2.520006000000 0.553605000000 -3.402811000000 0.118053000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.005231000000 0.498727000000 -0.747972000000 -0.937779000000 -0.210651000000 0.417891000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000576000000 0.057968000000 -0.473181000000 -0.239393000000 0.926645000000 0.477842000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.000051000000 0.003923000000 0.012359000000 -0.001611000000 -0.053816000000 0.167144000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
62.030900000000 21.098800000000 13.120000000000 6.312570000000 5.518500000000 3.452400000000 2.141450000000 1.299370000000 0.810358000000 0.472707000000 0.255648000000 0.130895000000 0.062779000000 0.030100000000
0.000000000000 0.000000000000 0.000086000000 -0.000159000000 0.000597000000 0.000522000000 0.006645000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.000796000000 0.001475000000 -0.006535000000 -0.006381000000 -0.072830000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.009136000000 -0.012851000000 0.029495000000 0.038985000000 0.133493000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.066301000000 0.090969000000 -0.158100000000 -0.260786000000 0.113624000000 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 0.165563000000 -0.274077000000 0.691427000000 2.035288000000 -3.889724000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.241441000000 -0.444884000000 0.591997000000 -1.399120000000 7.904899000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.271022000000 -0.202324000000 -0.776642000000 -1.415319000000 -5.674397000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.268013000000 0.220378000000 -0.738404000000 1.166861000000 0.485667000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.186875000000 0.485503000000 0.183170000000 0.770311000000 1.229852000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.081314000000 0.301647000000 0.587885000000 -0.653150000000 -0.071889000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.013419000000 0.066884000000 0.184543000000 -0.342561000000 -0.653156000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.574400000000 2.060000000000 1.187200000000 0.684200000000 0.273700000000 0.109500000000
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
3.428200000000 2.035500000000 1.208600000000 0.499600000000 0.206500000000
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
3.174900000000 1.864600000000 0.810700000000 0.352500000000
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
3.172700000000 1.682200000000 0.891900000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Au:def2-SV(P)
Weigend and Ahlrichs' Gaussian basis set
3
0 1 2
6 3 2
7 6 5
20.115299000000 12.193477000000 6.073529436800 1.317445156900 0.585967682440 0.138754273540 0.048876985527
-0.159107193890 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.791055267780 0.000000000000 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
8.609665000000 7.335326000000 1.657529636500 0.781593102160 0.323848406610 0.054000000000
0.500530185990 0.000000000000 0.000000000000
-0.726815844940 0.000000000000 0.000000000000
0.573155114170 0.000000000000 0.000000000000
0.495790688590 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
4.143949000000 3.568257000000 1.234575713000 0.481902323380 0.164906367690
-0.370995666430 0.000000000000
0.401972337620 0.000000000000
0.460019886240 0.000000000000
0.461521309579 0.000000000000
0.000000000000 1.000000000000
Au:def2-SVP
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
6 3 2 1
7 6 5 1
20.115299000000 12.193477000000 6.073529436800 1.317445156900 0.585967682440 0.138754273540 0.048876985527
-0.159107193890 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.791055267780 0.000000000000 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
8.609665000000 7.335326000000 1.657529636500 0.781593102160 0.323848406610 0.054000000000
0.500530185990 0.000000000000 0.000000000000
-0.726815844940 0.000000000000 0.000000000000
0.573155114170 0.000000000000 0.000000000000
0.495790688590 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
4.143949000000 3.568257000000 1.234575713000 0.481902323380 0.164906367690
-0.370995666430 0.000000000000
0.401972337620 0.000000000000
0.460019886240 0.000000000000
0.461521309579 0.000000000000
0.000000000000 1.000000000000
0.724820000000
1.000000000000
Au:def2-TZVP
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
6 4 3 1
8 7 6 1
30.000000000000 27.000000000000 14.746824331000 5.601724893800 1.387416244300 0.629230319570 0.140275176130 0.049379413761
0.207492311080 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.332678933940 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.383028179580 0.000000000000 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
15.500000000000 14.000000000000 6.422736820500 1.659560168100 0.794029139930 0.351251553970 0.045000000000
0.150017118800 0.000000000000 0.000000000000 0.000000000000
-0.236098131830 0.000000000000 0.000000000000 0.000000000000
0.314588969480 0.000000000000 0.000000000000 0.000000000000
-0.572796704460 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
9.552409865600 7.269888693700 1.774649678900 0.799605410550 0.332522793720 0.124451331050
0.040145559502 0.000000000000 0.000000000000
-0.093690906606 0.000000000000 0.000000000000
0.317462823170 0.000000000000 0.000000000000
0.467951924830 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.724820000000
1.000000000000
Au:def2-TZVPP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
6 4 3 2 1
8 7 6 2 1
30.000000000000 27.000000000000 14.746824331000 5.601724893800 1.387416244300 0.629230319570 0.140275176130 0.049379413761
0.207492311080 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.332678933940 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.383028179580 0.000000000000 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
15.500000000000 14.000000000000 6.422736820500 1.659560168100 0.794029139930 0.351251553970 0.045000000000
0.150017118800 0.000000000000 0.000000000000 0.000000000000
-0.236098131830 0.000000000000 0.000000000000 0.000000000000
0.314588969480 0.000000000000 0.000000000000 0.000000000000
-0.572796704460 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
9.552409865600 7.269888693700 1.774649678900 0.799605410550 0.332522793720 0.124451331050
0.040145559502 0.000000000000 0.000000000000
-0.093690906606 0.000000000000 0.000000000000
0.317462823170 0.000000000000 0.000000000000
0.467951924830 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.424690000000 0.468340000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
1.146900000000
1.000000000000
Au:def2-QZVP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
7 5 4 3 1
9 8 6 3 1
24.200000000000 22.000000000000 20.000000000000 5.404355300100 1.453254677300 0.682942984200 0.190027553030 0.088155981740 0.037739555187
1.464500444300 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-3.977019049600 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
2.729803353300 0.000000000000 0.000000000000 0.000000000000 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
15.500000000000 14.000000000000 6.422736820500 1.659560168100 0.794029139930 0.351251553970 0.081000000000 0.025000000000
0.150017118800 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.236098131830 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.314588969480 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.572796704460 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
8.600000000000 7.853189937900 1.765085679800 0.794822632600 0.330853963600 0.123985358010
0.153616546840 0.000000000000 0.000000000000 0.000000000000
-0.204435306630 0.000000000000 0.000000000000 0.000000000000
0.307818116070 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
1.760740000000 0.724820000000 0.298380000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.146900000000
1.000000000000
Au:def2-QZVPP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
7 5 4 4 2
9 8 6 4 2
24.200000000000 22.000000000000 20.000000000000 5.404355300100 1.453254677300 0.682942984200 0.190027553030 0.088155981740 0.037739555187
1.464500444300 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-3.977019049600 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
2.729803353300 0.000000000000 0.000000000000 0.000000000000 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
15.500000000000 14.000000000000 6.422736820500 1.659560168100 0.794029139930 0.351251553970 0.081000000000 0.025000000000
0.150017118800 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.236098131830 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.314588969480 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.572796704460 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
8.600000000000 7.853189937900 1.765085679800 0.794822632600 0.330853963600 0.123985358010
0.153616546840 0.000000000000 0.000000000000 0.000000000000
-0.204435306630 0.000000000000 0.000000000000 0.000000000000
0.307818116070 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
1.760740000000 0.724820000000 0.298380000000 0.122830000000
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
1.699170000000 0.659410000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Au:def2-SVPD
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
6 4 2 1
7 7 5 1
20.115299000000 12.193477000000 6.073529436800 1.317445156900 0.585967682440 0.138754273540 0.048876985527
-0.159107193890 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.791055267780 0.000000000000 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
8.609665000000 7.335326000000 1.657529636500 0.781593102160 0.323848406610 0.054000000000 0.132200000000
0.500530185990 0.000000000000 0.000000000000 0.000000000000
-0.726815844940 0.000000000000 0.000000000000 0.000000000000
0.573155114170 0.000000000000 0.000000000000 0.000000000000
0.495790688590 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
4.143949000000 3.568257000000 1.234575713000 0.481902323380 0.164906367690
-0.370995666430 0.000000000000
0.401972337620 0.000000000000
0.460019886240 0.000000000000
0.461521309579 0.000000000000
0.000000000000 1.000000000000
0.724820000000
1.000000000000
Au:def2-TZVPD
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
6 5 3 1
8 8 6 1
30.000000000000 27.000000000000 14.746824331000 5.601724893800 1.387416244300 0.629230319570 0.140275176130 0.049379413761
0.207492311080 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.332678933940 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.383028179580 0.000000000000 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
15.500000000000 14.000000000000 6.422736820500 1.659560168100 0.794029139930 0.351251553970 0.045000000000 0.118017374940
0.150017118800 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.236098131830 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.314588969480 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.572796704460 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
9.552409865600 7.269888693700 1.774649678900 0.799605410550 0.332522793720 0.124451331050
0.040145559502 0.000000000000 0.000000000000
-0.093690906606 0.000000000000 0.000000000000
0.317462823170 0.000000000000 0.000000000000
0.467951924830 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.724820000000
1.000000000000
Au:def2-TZVPPD
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
6 5 3 2 1
8 8 6 2 1
30.000000000000 27.000000000000 14.746824331000 5.601724893800 1.387416244300 0.629230319570 0.140275176130 0.049379413761
0.207492311080 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.332678933940 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.383028179580 0.000000000000 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
15.500000000000 14.000000000000 6.422736820500 1.659560168100 0.794029139930 0.351251553970 0.045000000000 0.118017374940
0.150017118800 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.236098131830 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.314588969480 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.572796704460 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
9.552409865600 7.269888693700 1.774649678900 0.799605410550 0.332522793720 0.124451331050
0.040145559502 0.000000000000 0.000000000000
-0.093690906606 0.000000000000 0.000000000000
0.317462823170 0.000000000000 0.000000000000
0.467951924830 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.424690000000 0.468340000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
1.146900000000
1.000000000000
Au:def2-QZVPD
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
7 5 4 3 1
9 8 6 3 1
24.200000000000 22.000000000000 20.000000000000 5.404355300100 1.453254677300 0.682942984200 0.190027553030 0.088155981740 0.037739555187
1.464500444300 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-3.977019049600 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
2.729803353300 0.000000000000 0.000000000000 0.000000000000 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
15.500000000000 14.000000000000 6.422736820500 1.659560168100 0.794029139930 0.351251553970 0.081000000000 0.025000000000
0.150017118800 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.236098131830 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.314588969480 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.572796704460 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
8.600000000000 7.853189937900 1.765085679800 0.794822632600 0.330853963600 0.123985358010
0.153616546840 0.000000000000 0.000000000000 0.000000000000
-0.204435306630 0.000000000000 0.000000000000 0.000000000000
0.307818116070 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
1.760740000000 0.724820000000 0.298380000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.146900000000
1.000000000000
Au:def2-QZVPPD
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
7 5 4 4 2
9 8 6 4 2
24.200000000000 22.000000000000 20.000000000000 5.404355300100 1.453254677300 0.682942984200 0.190027553030 0.088155981740 0.037739555187
1.464500444300 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-3.977019049600 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
2.729803353300 0.000000000000 0.000000000000 0.000000000000 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
15.500000000000 14.000000000000 6.422736820500 1.659560168100 0.794029139930 0.351251553970 0.081000000000 0.025000000000
0.150017118800 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.236098131830 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.314588969480 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.572796704460 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
8.600000000000 7.853189937900 1.765085679800 0.794822632600 0.330853963600 0.123985358010
0.153616546840 0.000000000000 0.000000000000 0.000000000000
-0.204435306630 0.000000000000 0.000000000000 0.000000000000
0.307818116070 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
1.760740000000 0.724820000000 0.298380000000 0.122830000000
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
1.699170000000 0.659410000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Au:LANL2DZ
Hay and Wadt's LANL2DZ Gaussian basis set
3
0 1 2
3 3 2
5 6 3
2.809000000000 1.595000000000 0.532700000000 0.282600000000 0.059800000000
-1.202155600000 1.160848100000 0.000000000000
1.674157800000 -1.864284600000 0.000000000000
0.352659300000 -1.035623000000 0.000000000000
0.000000000000 1.306439900000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
3.684000000000 1.666000000000 0.598900000000 0.683800000000 0.097700000000 0.027900000000
-0.280268100000 0.000000000000 0.000000000000
0.781839800000 0.000000000000 0.000000000000
0.480477600000 0.000000000000 0.000000000000
0.000000000000 -0.095207800000 0.000000000000
0.000000000000 1.029914700000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.287000000000 0.433500000000 0.139600000000
0.584427300000 0.000000000000
0.529816100000 0.000000000000
0.000000000000 1.000000000000
Au: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
7.070940000000 4.443220000000 3.001020000000 2.069820000000 1.042050000000 0.486917000000 0.227157000000 0.112863000000
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
10.442000000000 5.467960000000 3.153090000000 1.969940000000 0.962044000000 0.488619000000 0.250631000000 0.126713000000
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
4.733120000000 3.185800000000 1.860440000000 0.846996000000 0.458593000000 0.206667000000
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
6.915240000000 3.035500000000 1.561560000000 0.857744000000 0.367994000000 0.200023000000
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
1.670660000000 2.513110000000 0.642960000000 0.330323000000
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
2.467320000000 1.385380000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Au: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
6.729040000000 4.255570000000 3.026950000000 1.930080000000 0.973620000000 0.390185000000 0.178639000000 0.089119600000 0.041244500000 0.024628000000
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
7.427370000000 4.839270000000 3.403200000000 1.793080000000 0.865804000000 0.434123000000 0.220670000000 0.127573000000 0.067176200000 0.033482400000
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
4.599670000000 3.512450000000 2.618650000000 1.349020000000 0.683240000000 0.319530000000 0.189447000000 0.104591000000 0.056597500000
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
6.157550000000 3.283920000000 1.985700000000 0.951210000000 0.558083000000 0.224148000000 0.092634700000
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
9.222620000000 4.255580000000 2.517610000000 1.349680000000 0.573703000000 0.262937000000
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
3.469860000000 2.235580000000 0.902075000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
3.411640000000 1.864360000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Au: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
10.740700000000 7.268840000000 5.285870000000 3.657800000000 2.013060000000 1.128150000000 0.640803000000 0.279905000000 0.113326000000 0.058711900000 0.031569900000
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
9.639380000000 5.676760000000 3.806490000000 2.542920000000 1.674490000000 0.820406000000 0.474115000000 0.267829000000 0.157187000000 0.080671700000 0.039754000000
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
10.596000000000 6.483840000000 3.998570000000 2.239870000000 1.563010000000 0.815513000000 0.418626000000 0.232923000000 0.131066000000 0.073509200000
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
5.853020000000 3.969270000000 2.664360000000 1.576990000000 0.924422000000 0.494987000000 0.252774000000 0.130302000000
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
10.920300000000 4.512460000000 3.275250000000 1.797860000000 0.929655000000 0.467730000000 0.216506000000
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
5.815230000000 3.897950000000 2.413980000000 1.365870000000 0.617098000000
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
3.037630000000 2.022120000000 1.088510000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
3.490810000000 1.884760000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Au: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
14.902400000000 8.726970000000 5.949050000000 4.065760000000 2.473600000000 1.389030000000 0.833654000000 0.492218000000 0.231546000000 0.091251700000 0.045247000000 0.023972400000
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
9.971770000000 5.940070000000 4.492870000000 3.472950000000 1.971680000000 1.125480000000 0.677686000000 0.402700000000 0.219176000000 0.122811000000 0.061323200000 0.029966600000
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
11.380100000000 6.780100000000 4.690620000000 3.088820000000 1.673800000000 1.138920000000 0.606063000000 0.361324000000 0.197430000000 0.105272000000 0.057104400000
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
13.129900000000 7.611220000000 4.551990000000 3.143760000000 1.887330000000 1.236500000000 0.704402000000 0.419504000000 0.203218000000 0.103186000000
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
12.376100000000 7.337200000000 5.056880000000 3.163390000000 2.008090000000 1.243620000000 0.684126000000 0.368513000000 0.153044000000
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
7.678440000000 4.596990000000 2.867590000000 1.858050000000 0.977675000000 0.492781000000
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
4.658060000000 3.243750000000 1.779320000000 0.851269000000
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
4.644500000000 2.829280000000 1.290510000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
4.663830000000 2.398980000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Au: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
7.070940000000 4.443220000000 3.001020000000 2.069820000000 1.042050000000 0.486917000000 0.227157000000 0.112863000000 0.057228400000
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
10.442000000000 5.467960000000 3.153090000000 1.969940000000 0.962044000000 0.488619000000 0.250631000000 0.126713000000 0.063956300000
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
4.733120000000 3.185800000000 1.860440000000 0.846996000000 0.458593000000 0.206667000000 0.118613000000
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
6.915240000000 3.035500000000 1.561560000000 0.857744000000 0.367994000000 0.200023000000 0.114561000000
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
1.670660000000 2.513110000000 0.642960000000 0.330323000000 0.165000000000
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
2.467320000000 1.385380000000 0.677109000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Au: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
6.729040000000 4.255570000000 3.026950000000 1.930080000000 0.973620000000 0.390185000000 0.178639000000 0.089119600000 0.041244500000 0.024628000000 0.012318400000
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
7.427370000000 4.839270000000 3.403200000000 1.793080000000 0.865804000000 0.434123000000 0.220670000000 0.127573000000 0.067176200000 0.033482400000 0.016780500000
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
4.599670000000 3.512450000000 2.618650000000 1.349020000000 0.683240000000 0.319530000000 0.189447000000 0.104591000000 0.056597500000 0.028362800000
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
6.157550000000 3.283920000000 1.985700000000 0.951210000000 0.558083000000 0.224148000000 0.092634700000 0.047117000000
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
9.222620000000 4.255580000000 2.517610000000 1.349680000000 0.573703000000 0.262937000000 0.131609000000
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
3.469860000000 2.235580000000 0.902075000000 0.421982000000
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
3.411640000000 1.864360000000 0.919621000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Au: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
10.740700000000 7.268840000000 5.285870000000 3.657800000000 2.013060000000 1.128150000000 0.640803000000 0.279905000000 0.113326000000 0.058711900000 0.031569900000 0.015820800000
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
9.639380000000 5.676760000000 3.806490000000 2.542920000000 1.674490000000 0.820406000000 0.474115000000 0.267829000000 0.157187000000 0.080671700000 0.039754000000 0.019893700000
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
10.596000000000 6.483840000000 3.998570000000 2.239870000000 1.563010000000 0.815513000000 0.418626000000 0.232923000000 0.131066000000 0.073509200000 0.036767200000
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
5.853020000000 3.969270000000 2.664360000000 1.576990000000 0.924422000000 0.494987000000 0.252774000000 0.130302000000 0.068079500000
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
10.920300000000 4.512460000000 3.275250000000 1.797860000000 0.929655000000 0.467730000000 0.216506000000 0.114975000000
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
5.815230000000 3.897950000000 2.413980000000 1.365870000000 0.617098000000 0.335477000000
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
3.037630000000 2.022120000000 1.088510000000 0.582232000000
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
3.490810000000 1.884760000000 0.944433000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Au: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
14.902400000000 8.726970000000 5.949050000000 4.065760000000 2.473600000000 1.389030000000 0.833654000000 0.492218000000 0.231546000000 0.091251700000 0.045247000000 0.023972400000 0.012004200000
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
9.971770000000 5.940070000000 4.492870000000 3.472950000000 1.971680000000 1.125480000000 0.677686000000 0.402700000000 0.219176000000 0.122811000000 0.061323200000 0.029966600000 0.015001800000
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
11.380100000000 6.780100000000 4.690620000000 3.088820000000 1.673800000000 1.138920000000 0.606063000000 0.361324000000 0.197430000000 0.105272000000 0.057104400000 0.028563500000
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
13.129900000000 7.611220000000 4.551990000000 3.143760000000 1.887330000000 1.236500000000 0.704402000000 0.419504000000 0.203218000000 0.103186000000 0.051776500000
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
12.376100000000 7.337200000000 5.056880000000 3.163390000000 2.008090000000 1.243620000000 0.684126000000 0.368513000000 0.153044000000 0.077576500000
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
7.678440000000 4.596990000000 2.867590000000 1.858050000000 0.977675000000 0.492781000000 0.258708000000
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
4.658060000000 3.243750000000 1.779320000000 0.851269000000 0.415149000000
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
4.644500000000 2.829280000000 1.290510000000 0.620578000000
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
4.663830000000 2.398980000000 1.323740000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Au: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
6.333617100000 4.359237600000 2.849281300000 1.602627800000 0.742756010000 0.434730610000 0.191846580000 0.099398830000
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
12.067037000000 4.307512700000 2.961819700000 1.726584600000 0.721466570000 0.404976460000 0.134700000000
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
4.553264300000 2.974800800000 1.806112700000 0.772074720000 0.470101900000 0.232020190000
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
6.548894000000 2.822161200000 1.460552600000 0.700678290000 0.252465670000
-0.558745830000 0.000000000000 0.000000000000
2.032146400000 0.000000000000 0.000000000000
0.000000000000 0.052116200000 0.000000000000
0.000000000000 0.152299240000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
3.670335530000 2.505518260000 0.974757990000 0.408175370000
-0.314375170000 0.000000000000
2.000137560000 0.000000000000
0.146116070000 0.000000000000
0.000000000000 1.000000000000
Au: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
7.748420000000 4.957360000000 3.676190000000 2.476200000000 1.056750000000 0.602601000000 0.281497000000 0.099218800000
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
13.909000000000 7.608320000000 4.178190000000 2.656130000000 1.739700000000 0.455804000000 0.356411000000 0.122141000000
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
11.441900000000 5.806980000000 2.961220000000 1.842770000000 0.852841000000 0.451932000000 0.235526000000
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
6.178460000000 3.322200000000 1.658720000000 0.752391000000 0.261603000000
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
2.378570000000 1.456180000000 0.402007000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.451000000000
1.000000000000
Au: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
7.748420000000 4.957360000000 3.676190000000 2.476200000000 1.056750000000 0.602601000000 0.238864000000 0.112510000000
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
13.014900000000 7.194760000000 4.646300000000 3.178100000000 1.495820000000 0.796388000000 0.487636000000 0.147953000000
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
11.027300000000 5.132470000000 2.956310000000 2.070100000000 0.822994000000 0.433960000000 0.194720000000
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
6.483660000000 2.983670000000 1.387030000000 0.779960000000 0.240845000000
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
2.221360000000 0.906145000000 0.354720000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.122520000000 1.148640000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Au: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
7.748420000000 4.957360000000 3.676190000000 2.476200000000 1.056750000000 0.602601000000 0.263852000000 0.129716000000
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
16.207000000000 8.857150000000 4.907750000000 2.860320000000 1.407270000000 0.666306000000 0.336666000000 0.138734000000
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
10.837400000000 5.220640000000 3.079980000000 1.844120000000 0.808450000000 0.459133000000 0.194695000000
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
6.267090000000 2.608650000000 1.745040000000 0.705834000000 0.242612000000
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
2.417800000000 1.564610000000 0.622652000000 0.345726000000
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
2.765630000000 1.951680000000 0.844593000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.954860000000
1.000000000000
Au: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
7.991950000000 6.078160000000 5.262860000000 3.747180000000 1.655820000000 0.805048000000 0.458340000000 0.199696000000 0.110432000000 0.057918500000
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
6.755000000000 5.096160000000 4.056680000000 2.203510000000 1.421490000000 0.766999000000 0.410697000000 0.172554000000 0.067538500000
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
9.762760000000 5.808290000000 3.682800000000 2.190380000000 1.233020000000 0.598432000000 0.396580000000 0.197319000000
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
5.169450000000 3.728730000000 2.096430000000 1.334300000000 0.790639000000 0.384587000000 0.189108000000
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
7.269590000000 2.893410000000 1.595400000000 0.778082000000 0.325952000000
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
5.913420000000 2.955380000000 1.351560000000 0.628676000000 0.302718000000
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
2.760680000000 1.147980000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Au: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
7.748420000000 4.957360000000 3.676190000000 2.476200000000 1.056750000000 0.602601000000 0.281497000000 0.099218800000 0.050220500000
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
13.909000000000 7.608320000000 4.178190000000 2.656130000000 1.739700000000 0.455804000000 0.356411000000 0.122141000000 0.081042900000
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
11.441900000000 5.806980000000 2.961220000000 1.842770000000 0.852841000000 0.451932000000 0.235526000000 0.070468800000
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
6.178460000000 3.322200000000 1.658720000000 0.752391000000 0.261603000000
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
2.378570000000 1.456180000000 0.402007000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.451000000000
1.000000000000
Au: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
7.748420000000 4.957360000000 3.676190000000 2.476200000000 1.056750000000 0.602601000000 0.238864000000 0.112510000000 0.005297910000
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
13.014900000000 7.194760000000 4.646300000000 3.178100000000 1.495820000000 0.796388000000 0.487636000000 0.147953000000 0.087633600000
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
11.027300000000 5.132470000000 2.956310000000 2.070100000000 0.822994000000 0.433960000000 0.194720000000 0.007031800000
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
6.483660000000 2.983670000000 1.387030000000 0.779960000000 0.240845000000
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
2.221360000000 0.906145000000 0.354720000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.122520000000 1.148640000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Au: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
7.748420000000 4.957360000000 3.676190000000 2.476200000000 1.056750000000 0.602601000000 0.263852000000 0.129716000000 0.005297910000
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
16.207000000000 8.857150000000 4.907750000000 2.860320000000 1.407270000000 0.666306000000 0.336666000000 0.138734000000 0.087633600000
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
10.837400000000 5.220640000000 3.079980000000 1.844120000000 0.808450000000 0.459133000000 0.194695000000 0.007031800000
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
6.267090000000 2.608650000000 1.745040000000 0.705834000000 0.242612000000
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
2.417800000000 1.564610000000 0.622652000000 0.345726000000
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
2.765630000000 1.951680000000 0.844593000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.954860000000
1.000000000000
Au: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
7.991950000000 6.078160000000 5.262860000000 3.747180000000 1.655820000000 0.805048000000 0.458340000000 0.199696000000 0.110432000000 0.057918500000
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
6.755000000000 5.096160000000 4.056680000000 2.203510000000 1.421490000000 0.766999000000 0.410697000000 0.172554000000 0.067538500000
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
9.762760000000 5.808290000000 3.682800000000 2.190380000000 1.233020000000 0.598432000000 0.396580000000 0.197319000000
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
5.169450000000 3.728730000000 2.096430000000 1.334300000000 0.790639000000 0.384587000000 0.189108000000
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
7.269590000000 2.893410000000 1.595400000000 0.778082000000 0.325952000000
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
5.913420000000 2.955380000000 1.351560000000 0.628676000000 0.302718000000
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
2.760680000000 1.147980000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Au: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
13.230152900000 8.163942000000 5.037820300000 3.108797400000 1.918440900000 1.183886100000 0.730594200000 0.450865000000 0.278240400000 0.171710300000 0.105967900000 0.065396400000 0.040358300000
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
61.637200200000 34.231213400000 19.011211000000 10.558555700000 5.864157800000 3.256959200000 1.808938000000 1.004705700000 0.558029400000 0.309939800000 0.172146800000 0.095613900000
0.027129222000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.118317950200 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.992605091700 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
36.817109800000 20.447074900000 11.355890200000 6.306939800000 3.502859300000 1.945504300000 1.080553300000 0.600155400000 0.333337200000 0.185142100000 0.102831800000
0.004751146400 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.048807605200 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.998796898400 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
14.548461700000 7.026189100000 2.872567600000 1.467524100000 0.682398600000 0.373755800000 0.188021200000 0.099687300000 0.052909000000
0.129117702100 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.991629275000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
6.288964800000 2.956681100000 1.444924800000 0.723264100000 0.364985100000
0.176188081600 0.000000000000 0.000000000000 0.000000000000
-0.984356520700 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
3.368663732700 1.645233948700 0.803521800000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.695891536800 1.036881400000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Au: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
28.245250500000 16.577835400000 10.147624100000 5.969190500000 3.653860700000 2.144541100000 1.261494700000 0.714693300000 0.420407800000 0.219955100000 0.096208100000
0.000000000000 0.446785100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -3.066285800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 7.795920300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -7.048283300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-3.275755800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 4.162963600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 2.272542700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.983456000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.379507800000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.154532200000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.009746600000
7.572288600000 2.699854400000 0.963572900000 0.344102400000 0.122907100000
0.018955100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.060933500000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.082321400000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 -0.038023700000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.005815700000
6.802781000000 2.962560000000 1.308279400000 0.582648100000 0.260221600000
-0.015979500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.046439800000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.026572400000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 -0.016625000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.005573700000
1.975453000000 0.815756600000 0.340812800000
-0.012460000000 0.000000000000
0.010663000000 0.000000000000
0.000000000000 0.001551400000
2.346311900000 0.895694000000 0.344212700000
0.009858700000 0.000000000000 0.000000000000
0.000000000000 0.000829400000 0.000000000000
0.000000000000 0.000000000000 0.000272400000
Au:def2-ECP-60
Stuttgart-Koeln ECP
*
NCORE = 60 LMAX =3
f-ul
30.490088900000 2 4.789820000000
5.171073810000 2 2.394910000000
s-ul
426.846679200000 2 13.205100000000
37.007082850000 2 6.602550000000
-30.490088900000 2 4.789820000000
-5.171073810000 2 2.394910000000
p-ul
261.199580380000 2 10.452020000000
26.962496040000 2 5.226010000000
-30.490088900000 2 4.789820000000
-5.171073810000 2 2.394910000000
d-ul
124.790665610000 2 7.851100000000
16.300725730000 2 3.925550000000
-30.490088900000 2 4.789820000000
-5.171073810000 2 2.394910000000
*
Au:LANL2DZ-ECP-60
LANL2DZ ECP
*
NCORE = 60 LMAX =4
g-ul
-60.000000000000 1 622.628795600000
-555.529231200000 2 136.284360700000
-168.001978500000 2 33.154978100000
-63.039987500000 2 9.989489500000
-4.251668100000 2 3.048131200000
s-ul
3.000000000000 0 194.737430400000
38.602088000000 1 351.532744700000
864.837072700000 2 122.327040200000
374.993552000000 2 32.091461700000
289.791010000000 2 5.245181200000
-152.453277300000 2 4.491622300000
p-ul
2.000000000000 0 420.615880100000
73.888562500000 1 109.441781500000
326.672987200000 2 34.171428000000
126.581459100000 2 5.987975000000
d-ul
3.000000000000 0 219.266615800000
55.679314900000 1 122.729778600000
449.198733500000 2 63.106336900000
215.026909100000 2 18.368452000000
64.084099500000 2 4.497284400000
f-ul
4.000000000000 0 108.550603700000
51.806533500000 1 56.479552700000
231.218311300000 2 29.206915900000
119.004738600000 2 9.544054300000
15.342418800000 2 2.896511800000
*
Au:MCDHF-ECP-60
Stuttgart-Koeln MCDFH ECP
*
NCORE = 60 LMAX =5
h-ul
0.000000000000 2 1.000000000000
s-ul
426.641867000000 2 13.523218000000
36.800668000000 2 6.264384000000
p-ul
87.002091000000 2 11.413867000000
174.004370000000 2 10.329215000000
8.870610000000 2 5.707424000000
17.902438000000 2 4.828165000000
d-ul
49.883655000000 2 7.430963000000
74.684549000000 2 8.321990000000
6.486227000000 2 4.609642000000
9.546821000000 2 3.511507000000
f-ul
8.791640000000 2 3.084639000000
11.658456000000 2 3.024743000000
g-ul
-5.234337000000 2 3.978442000000
-6.738142000000 2 4.011491000000
*
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