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

2607 lines
359 KiB
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Ni:cc-pVDZ
Dunning's correlation consistent basis set
4
0 1 2 3
6 5 3 1
20 16 8 2
5045991.000000000000 755614.199999999953 171956.799999999988 48704.790000000001 15888.410000000000 5735.123000000000 2236.137000000000 926.646800000000 403.174300000000 182.347600000000 84.548850000000 38.396340000000 18.458590000000 8.863548000000 3.916227000000 1.838870000000 0.804362000000 0.169797000000 0.079306000000 0.034677000000
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Ni:cc-pVTZ
Dunning's correlation consistent basis set
5
0 1 2 3 4
7 6 4 2 1
20 16 8 2 1
5045991.000000000000 755614.199999999953 171956.799999999988 48704.790000000001 15888.410000000000 5735.123000000000 2236.137000000000 926.646800000000 403.174300000000 182.347600000000 84.548850000000 38.396340000000 18.458590000000 8.863548000000 3.916227000000 1.838870000000 0.804362000000 0.169797000000 0.079306000000 0.034677000000
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4.504600000000 1.128600000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
2.977100000000
1.000000000000
Ni:cc-pVQZ
Dunning's correlation consistent basis set
6
0 1 2 3 4 5
8 7 5 3 2 1
22 18 11 3 2 1
15503020.000000000000 2321071.000000000000 528180.199999999953 149604.000000000000 48809.070000000000 17622.389999999999 6874.201000000000 2851.857000000000 1244.334000000000 566.154700000000 266.787300000000 129.375200000000 63.651610000000 29.333020000000 14.822120000000 7.460513000000 3.413576000000 1.632884000000 0.743579000000 0.172592000000 0.077420000000 0.033701000000
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Ni:cc-pV5Z
Dunning's correlation consistent basis set
7
0 1 2 3 4 5 6
9 8 6 4 3 2 1
28 20 12 4 3 2 1
168793000.000000000000 30136900.000000000000 6730750.000000000000 1803370.000000000000 559438.000000000000 195064.000000000000 74600.699999999997 30681.700000000001 13360.299999999999 6086.160000000000 2874.620000000000 1398.720000000000 697.981000000000 356.110000000000 185.346000000000 98.222100000000 52.883400000000 28.842400000000 15.866400000000 8.749330000000 4.794820000000 2.581240000000 1.344500000000 0.672374000000 0.224640000000 0.120192000000 0.058154000000 0.027723000000
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568.866500000000 171.250100000000 66.491950000000 29.205410000000 13.678480000000 6.697880000000 3.325850000000 1.631480000000 0.779014000000 0.357546000000 0.155163000000 0.061402000000
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0.009153000000 -0.009718000000 -0.014200000000 -0.020148000000 -0.029004000000 0.000000000000
0.033481000000 -0.035777000000 -0.053196000000 -0.079315000000 -0.093145000000 0.000000000000
0.090902000000 -0.099458000000 -0.152460000000 -0.240838000000 -0.422747000000 0.000000000000
0.183398000000 -0.202812000000 -0.318258000000 -0.520067000000 -0.417162000000 0.000000000000
0.266361000000 -0.260424000000 -0.256950000000 0.269485000000 1.469109000000 0.000000000000
0.294541000000 -0.146265000000 0.282858000000 0.948422000000 -0.518750000000 0.000000000000
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0.173003000000 0.400459000000 0.038477000000 -0.728293000000 1.335325000000 0.000000000000
0.070241000000 0.400758000000 -0.566786000000 0.495635000000 -0.236874000000 0.000000000000
0.008331000000 0.103033000000 -0.208510000000 0.296861000000 -0.465993000000 1.000000000000
9.802900000000 3.493600000000 1.245100000000 0.443700000000
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
7.935600000000 2.764800000000 0.963300000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
5.807600000000 1.852600000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
4.354900000000
1.000000000000
Ni:aug-cc-pVDZ
Dunning's correlation consistent basis set
4
0 1 2 3
7 6 4 2
21 17 9 3
5045991.000000000000 755614.199999999953 171956.799999999988 48704.790000000001 15888.410000000000 5735.123000000000 2236.137000000000 926.646800000000 403.174300000000 182.347600000000 84.548850000000 38.396340000000 18.458590000000 8.863548000000 3.916227000000 1.838870000000 0.804362000000 0.169797000000 0.079306000000 0.034677000000 0.015160000000
0.000008209000 -0.000003657800 0.000000959410 -0.000000201380 -0.000000392420 0.000000000000 0.000000000000
0.000063829000 -0.000028441000 0.000007462600 -0.000001565800 -0.000003113900 0.000000000000 0.000000000000
0.000335580000 -0.000149590000 0.000039238000 -0.000008237200 -0.000015904000 0.000000000000 0.000000000000
0.001415100000 -0.000631300000 0.000165790000 -0.000034781000 -0.000069814000 0.000000000000 0.000000000000
0.005124400000 -0.002293100000 0.000602590000 -0.000126530000 -0.000241780000 0.000000000000 0.000000000000
0.016433000000 -0.007405100000 0.001955700000 -0.000410260000 -0.000832620000 0.000000000000 0.000000000000
0.046894000000 -0.021520000000 0.005730400000 -0.001203800000 -0.002270300000 0.000000000000 0.000000000000
0.116350000000 -0.055610000000 0.015148000000 -0.003179100000 -0.006557400000 0.000000000000 0.000000000000
0.235050000000 -0.123020000000 0.034935000000 -0.007353800000 -0.013543000000 0.000000000000 0.000000000000
0.335020000000 -0.213010000000 0.065981000000 -0.013890000000 -0.029898000000 0.000000000000 0.000000000000
0.253480000000 -0.226580000000 0.078931000000 -0.016779000000 -0.026931000000 0.000000000000 0.000000000000
0.073009000000 0.035468000000 -0.019062000000 0.004163400000 -0.007827700000 0.000000000000 0.000000000000
0.061842000000 0.518170000000 -0.309590000000 0.068147000000 0.174170000000 0.000000000000 0.000000000000
0.063030000000 0.502560000000 -0.455860000000 0.106100000000 0.159550000000 0.000000000000 0.000000000000
0.010081000000 0.089557000000 0.148290000000 -0.043400000000 0.019956000000 0.000000000000 0.000000000000
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-0.000059328000 -0.000433920000 0.397610000000 -0.231030000000 0.248690000000 0.000000000000 0.000000000000
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0.000008115100 0.000422880000 -0.009151800000 0.569140000000 -0.599030000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
21027.919999999998 4977.560000000000 1616.740000000000 618.671800000000 262.518300000000 119.690700000000 57.465850000000 28.528290000000 14.521480000000 7.453850000000 3.723553000000 1.809813000000 0.851336000000 0.324814000000 0.119522000000 0.042366000000 0.015020000000
0.000041000000 -0.000015000000 0.000003000000 0.000006000000 0.000000000000 0.000000000000
0.000363000000 -0.000129000000 0.000026000000 0.000053000000 0.000000000000 0.000000000000
0.002097000000 -0.000749000000 0.000152000000 0.000305000000 0.000000000000 0.000000000000
0.009250000000 -0.003328000000 0.000678000000 0.001364000000 0.000000000000 0.000000000000
0.032796000000 -0.011947000000 0.002427000000 0.004876000000 0.000000000000 0.000000000000
0.094004000000 -0.035242000000 0.007201000000 0.014503000000 0.000000000000 0.000000000000
0.208280000000 -0.081204000000 0.016578000000 0.033296000000 0.000000000000 0.000000000000
0.333650000000 -0.137490000000 0.028392000000 0.057482000000 0.000000000000 0.000000000000
0.332900000000 -0.139230000000 0.028599000000 0.058702000000 0.000000000000 0.000000000000
0.155370000000 0.036016000000 -0.010132000000 -0.019904000000 0.000000000000 0.000000000000
0.020859000000 0.339130000000 -0.082912000000 -0.194700000000 0.000000000000 0.000000000000
-0.002440000000 0.450470000000 -0.116000000000 -0.239610000000 0.000000000000 0.000000000000
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-0.000338000000 0.047898000000 0.195640000000 0.521440000000 0.000000000000 0.000000000000
0.000035000000 -0.002987000000 0.567100000000 0.545540000000 0.000000000000 0.000000000000
-0.000012000000 0.001309000000 0.395270000000 0.043622000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
140.252700000000 41.726100000000 15.398100000000 6.277100000000 2.618500000000 1.052600000000 0.391600000000 0.126200000000 0.040670000000
0.003376000000 -0.003495000000 0.000000000000 0.000000000000
0.025141000000 -0.026015000000 0.000000000000 0.000000000000
0.097746000000 -0.103880000000 0.000000000000 0.000000000000
0.234710000000 -0.252070000000 0.000000000000 0.000000000000
0.346940000000 -0.294580000000 0.000000000000 0.000000000000
0.351070000000 0.001152000000 0.000000000000 0.000000000000
0.250260000000 0.438590000000 0.000000000000 0.000000000000
0.100080000000 0.543630000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.345500000000 1.068000000000 0.408300000000
0.417430000000 0.000000000000
0.771480000000 0.000000000000
0.000000000000 1.000000000000
Ni:aug-cc-pVTZ
Dunning's correlation consistent basis set
5
0 1 2 3 4
8 7 5 3 2
21 17 9 3 2
5045991.000000000000 755614.199999999953 171956.799999999988 48704.790000000001 15888.410000000000 5735.123000000000 2236.137000000000 926.646800000000 403.174300000000 182.347600000000 84.548850000000 38.396340000000 18.458590000000 8.863548000000 3.916227000000 1.838870000000 0.804362000000 0.169797000000 0.079306000000 0.034677000000 0.015160000000
0.000008209000 -0.000003658000 0.000000959000 -0.000000201000 -0.000000392000 -0.000000730000 0.000000000000 0.000000000000
0.000063829000 -0.000028441000 0.000007463000 -0.000001566000 -0.000003114000 -0.000005802000 0.000000000000 0.000000000000
0.000335580000 -0.000149593000 0.000039238000 -0.000008237000 -0.000015904000 -0.000029585000 0.000000000000 0.000000000000
0.001415075000 -0.000631301000 0.000165787000 -0.000034781000 -0.000069814000 -0.000130150000 0.000000000000 0.000000000000
0.005124444000 -0.002293052000 0.000602591000 -0.000126527000 -0.000241785000 -0.000449533000 0.000000000000 0.000000000000
0.016432560000 -0.007405123000 0.001955662000 -0.000410259000 -0.000832620000 -0.001553314000 0.000000000000 0.000000000000
0.046893980000 -0.021520320000 0.005730391000 -0.001203834000 -0.002270294000 -0.004219884000 0.000000000000 0.000000000000
0.116353400000 -0.055609740000 0.015147560000 -0.003179062000 -0.006557427000 -0.012254190000 0.000000000000 0.000000000000
0.235051100000 -0.123017600000 0.034934990000 -0.007353828000 -0.013542880000 -0.025197070000 0.000000000000 0.000000000000
0.335018400000 -0.213010400000 0.065980720000 -0.013890220000 -0.029897680000 -0.056217170000 0.000000000000 0.000000000000
0.253477900000 -0.226583700000 0.078930830000 -0.016778750000 -0.026931060000 -0.050222290000 0.000000000000 0.000000000000
0.073009010000 0.035467960000 -0.019062490000 0.004163378000 -0.007827693000 -0.016774120000 0.000000000000 0.000000000000
0.061842440000 0.518169700000 -0.309592100000 0.068147030000 0.174166700000 0.338802100000 0.000000000000 0.000000000000
0.063029560000 0.502563000000 -0.455861000000 0.106102900000 0.159546800000 0.398497500000 0.000000000000 0.000000000000
0.010080630000 0.089556740000 0.148293100000 -0.043399800000 0.019955500000 -0.303205300000 0.000000000000 0.000000000000
-0.000224453000 -0.007031311000 0.713403900000 -0.209495000000 -0.889700000000 -2.079619000000 0.000000000000 0.000000000000
-0.000059328000 -0.000433917000 0.397606300000 -0.231027100000 0.248689200000 2.500542000000 0.000000000000 0.000000000000
-0.000011586000 -0.000583171000 0.022955230000 0.259053200000 1.613012000000 -0.216900200000 0.000000000000 0.000000000000
0.000008115000 0.000422879000 -0.009151758000 0.569142600000 -0.599027700000 -1.709178000000 0.000000000000 0.000000000000
-0.000001682000 -0.000126671000 0.003875414000 0.315812500000 -0.836907800000 1.469166000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
21027.919999999998 4977.560000000000 1616.740000000000 618.671800000000 262.518300000000 119.690700000000 57.465850000000 28.528290000000 14.521480000000 7.453850000000 3.723553000000 1.809813000000 0.851336000000 0.324814000000 0.119522000000 0.042366000000 0.015020000000
0.000041000000 -0.000015000000 0.000003000000 0.000006000000 0.000011000000 0.000000000000 0.000000000000
0.000363000000 -0.000129000000 0.000026000000 0.000053000000 0.000095000000 0.000000000000 0.000000000000
0.002097000000 -0.000749000000 0.000152000000 0.000305000000 0.000580000000 0.000000000000 0.000000000000
0.009250000000 -0.003328000000 0.000678000000 0.001364000000 0.002451000000 0.000000000000 0.000000000000
0.032796000000 -0.011947000000 0.002427000000 0.004876000000 0.009282000000 0.000000000000 0.000000000000
0.094004000000 -0.035242000000 0.007201000000 0.014503000000 0.026009000000 0.000000000000 0.000000000000
0.208280000000 -0.081204000000 0.016578000000 0.033296000000 0.064096000000 0.000000000000 0.000000000000
0.333654000000 -0.137493000000 0.028392000000 0.057482000000 0.100710000000 0.000000000000 0.000000000000
0.332904000000 -0.139226000000 0.028599000000 0.058702000000 0.132539000000 0.000000000000 0.000000000000
0.155372000000 0.036016000000 -0.010132000000 -0.019904000000 -0.065089000000 0.000000000000 0.000000000000
0.020859000000 0.339128000000 -0.082912000000 -0.194695000000 -0.489756000000 0.000000000000 0.000000000000
-0.002440000000 0.450472000000 -0.115998000000 -0.239613000000 -0.498455000000 0.000000000000 0.000000000000
-0.001998000000 0.281783000000 -0.072795000000 -0.002232000000 0.966357000000 0.000000000000 0.000000000000
-0.000338000000 0.047898000000 0.195640000000 0.521435000000 0.528379000000 0.000000000000 0.000000000000
0.000035000000 -0.002987000000 0.567099000000 0.545540000000 -0.867676000000 0.000000000000 0.000000000000
-0.000012000000 0.001309000000 0.395270000000 0.043622000000 -0.104456000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
140.252700000000 41.726100000000 15.398100000000 6.277100000000 2.618500000000 1.052600000000 0.391600000000 0.126200000000 0.040670000000
0.003376000000 -0.003495000000 0.005052000000 0.000000000000 0.000000000000
0.025141000000 -0.026015000000 0.038087000000 0.000000000000 0.000000000000
0.097746000000 -0.103876000000 0.156113000000 0.000000000000 0.000000000000
0.234709000000 -0.252070000000 0.386156000000 0.000000000000 0.000000000000
0.346945000000 -0.294580000000 0.175605000000 0.000000000000 0.000000000000
0.351068000000 0.001152000000 -0.626807000000 0.000000000000 0.000000000000
0.250255000000 0.438589000000 -0.342775000000 0.000000000000 0.000000000000
0.100082000000 0.543626000000 0.791819000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.504600000000 1.128600000000 0.408300000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.977100000000 1.204850000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Ni:aug-cc-pVQZ
Dunning's correlation consistent basis set
6
0 1 2 3 4 5
9 8 6 4 3 2
23 19 12 4 3 2
15503020.000000000000 2321071.000000000000 528180.199999999953 149604.000000000000 48809.070000000000 17622.389999999999 6874.201000000000 2851.857000000000 1244.334000000000 566.154700000000 266.787300000000 129.375200000000 63.651610000000 29.333020000000 14.822120000000 7.460513000000 3.413576000000 1.632884000000 0.743579000000 0.172592000000 0.077420000000 0.033701000000 0.014670000000
0.000002085000 -0.000000730000 0.000000245000 -0.000000051000 -0.000000098000 -0.000000177000 -0.000000199000 0.000000000000 0.000000000000
0.000016214000 -0.000005678000 0.000001910000 -0.000000398000 -0.000000774000 -0.000001398000 -0.000001450000 0.000000000000 0.000000000000
0.000085308000 -0.000029859000 0.000010035000 -0.000002092000 -0.000003960000 -0.000007204000 -0.000008363000 0.000000000000 0.000000000000
0.000360379000 -0.000126278000 0.000042488000 -0.000008857000 -0.000017369000 -0.000031286000 -0.000031255000 0.000000000000 0.000000000000
0.001312632000 -0.000460025000 0.000154619000 -0.000032236000 -0.000060450000 -0.000110270000 -0.000132762000 0.000000000000 0.000000000000
0.004272395000 -0.001503230000 0.000506455000 -0.000105576000 -0.000209056000 -0.000375574000 -0.000358966000 0.000000000000 0.000000000000
0.012659940000 -0.004479171000 0.001508840000 -0.000314636000 -0.000583431000 -0.001067900000 -0.001341488000 0.000000000000 0.000000000000
0.034230650000 -0.012325120000 0.004178816000 -0.000871411000 -0.001746713000 -0.003128427000 -0.002824018000 0.000000000000 0.000000000000
0.083267350000 -0.030976390000 0.010566680000 -0.002205415000 -0.004026784000 -0.007410272000 -0.009863607000 0.000000000000 0.000000000000
0.174575800000 -0.069986510000 0.024393000000 -0.005095517000 -0.010423620000 -0.018595010000 -0.015234810000 0.000000000000 0.000000000000
0.289802300000 -0.133925600000 0.048121010000 -0.010082370000 -0.017811720000 -0.033227980000 -0.049844890000 0.000000000000 0.000000000000
0.320732300000 -0.196688100000 0.075651700000 -0.015920700000 -0.034669960000 -0.061184400000 -0.035223540000 0.000000000000 0.000000000000
0.177826500000 -0.140225800000 0.057485340000 -0.012220370000 -0.015409450000 -0.032863340000 -0.105642400000 0.000000000000 0.000000000000
0.036330070000 0.196073000000 -0.097831860000 0.021158690000 0.020864550000 0.048442020000 0.213803400000 0.000000000000 0.000000000000
0.020894580000 0.556451700000 -0.386453600000 0.087473040000 0.220682000000 0.398988000000 0.151767500000 0.000000000000 0.000000000000
0.015969540000 0.370216700000 -0.360659800000 0.085116050000 0.107396600000 0.337929000000 1.180428000000 0.000000000000 0.000000000000
0.001730245000 0.053960340000 0.288865000000 -0.081156830000 -0.083106680000 -0.701622400000 -3.526490000000 0.000000000000 0.000000000000
0.000481737000 0.004706492000 0.683091700000 -0.216635900000 -0.894299900000 -1.694434000000 2.550815000000 0.000000000000 0.000000000000
0.000124680000 0.003736115000 0.320677800000 -0.207695800000 0.375014100000 2.582680000000 0.430646100000 0.000000000000 0.000000000000
0.000023404000 -0.000074681000 0.016514710000 0.269929600000 1.496753000000 -0.549875800000 -3.450041000000 0.000000000000 0.000000000000
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0.000004800000 -0.000034371000 0.005347675000 0.295790300000 -0.826393900000 1.361618000000 -2.312156000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
45066.620000000003 10662.639999999999 3463.431000000000 1326.624000000000 564.741400000000 258.828800000000 125.311500000000 63.242330000000 32.824060000000 17.396920000000 9.324394000000 4.938839000000 2.562025000000 1.299294000000 0.634678000000 0.232262000000 0.091546000000 0.035643000000 0.013880000000
0.000011000000 -0.000004000000 0.000001000000 0.000002000000 0.000003000000 0.000004000000 0.000000000000 0.000000000000
0.000096000000 -0.000035000000 0.000007000000 0.000014000000 0.000024000000 0.000036000000 0.000000000000 0.000000000000
0.000564000000 -0.000202000000 0.000041000000 0.000084000000 0.000155000000 0.000199000000 0.000000000000 0.000000000000
0.002570000000 -0.000925000000 0.000186000000 0.000371000000 0.000646000000 0.000959000000 0.000000000000 0.000000000000
0.009677000000 -0.003499000000 0.000712000000 0.001460000000 0.002689000000 0.003463000000 0.000000000000 0.000000000000
0.030742000000 -0.011280000000 0.002269000000 0.004537000000 0.007899000000 0.011756000000 0.000000000000 0.000000000000
0.082065000000 -0.030819000000 0.006291000000 0.012922000000 0.023912000000 0.030690000000 0.000000000000 0.000000000000
0.176845000000 -0.069036000000 0.013934000000 0.027766000000 0.048006000000 0.073081000000 0.000000000000 0.000000000000
0.291162000000 -0.118733000000 0.024531000000 0.050956000000 0.096213000000 0.116827000000 0.000000000000 0.000000000000
0.330816000000 -0.142443000000 0.028770000000 0.056745000000 0.097582000000 0.191163000000 0.000000000000 0.000000000000
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414.342700000000 124.392600000000 48.115400000000 20.842000000000 9.622100000000 4.603400000000 2.196300000000 1.020600000000 0.454400000000 0.190000000000 0.071500000000 0.026910000000
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0.003200000000 -0.003335000000 -0.004928000000 -0.006778000000 0.000000000000 0.000000000000
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0.139234000000 -0.151232000000 -0.238744000000 -0.414809000000 0.000000000000 0.000000000000
0.242776000000 -0.254461000000 -0.359721000000 -0.283957000000 0.000000000000 0.000000000000
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6.913400000000 2.126000000000 0.653800000000 0.226500000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.312300000000 1.545700000000 0.623700000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
3.349500000000 1.448600000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Ni:aug-cc-pV5Z
Dunning's correlation consistent basis set
7
0 1 2 3 4 5 6
10 9 7 5 4 3 1
29 21 13 5 4 3 1
168793000.000000000000 30136900.000000000000 6730750.000000000000 1803370.000000000000 559438.000000000000 195064.000000000000 74600.699999999997 30681.700000000001 13360.299999999999 6086.160000000000 2874.620000000000 1398.720000000000 697.981000000000 356.110000000000 185.346000000000 98.222100000000 52.883400000000 28.842400000000 15.866400000000 8.749330000000 4.794820000000 2.581240000000 1.344500000000 0.672374000000 0.224640000000 0.120192000000 0.058154000000 0.027723000000 0.013220000000
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0.000000636000 -0.000000223000 0.000000075000 -0.000000016000 -0.000000030000 -0.000000053000 0.000000067000 0.000000071000 0.000000000000 0.000000000000
0.000003681000 -0.000001288000 0.000000433000 -0.000000090000 -0.000000175000 -0.000000308000 0.000000384000 0.000000431000 0.000000000000 0.000000000000
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0.000065015000 -0.000022757000 0.000007652000 -0.000001594000 -0.000003094000 -0.000005466000 0.000006771000 0.000007705000 0.000000000000 0.000000000000
0.000219703000 -0.000076919000 0.000025875000 -0.000005393000 -0.000010278000 -0.000018004000 0.000023094000 0.000024103000 0.000000000000 0.000000000000
0.000669914000 -0.000234707000 0.000078925000 -0.000016446000 -0.000032039000 -0.000056722000 0.000069710000 0.000080843000 0.000000000000 0.000000000000
0.001884806000 -0.000661290000 0.000222606000 -0.000046403000 -0.000088011000 -0.000153812000 0.000199146000 0.000203027000 0.000000000000 0.000000000000
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104158.000000000000 25289.099999999999 7974.060000000000 3013.010000000000 1286.410000000000 595.855000000000 291.656000000000 148.544000000000 78.073700000000 42.147800000000 23.259900000000 13.012100000000 7.263990000000 3.973570000000 2.121560000000 1.105150000000 0.549950000000 0.210740000000 0.084731000000 0.033902000000 0.013560000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
568.866500000000 171.250100000000 66.491950000000 29.205410000000 13.678480000000 6.697880000000 3.325850000000 1.631480000000 0.779014000000 0.357546000000 0.155163000000 0.061402000000 0.024300000000
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0.033481000000 -0.035777000000 -0.053196000000 -0.079315000000 -0.093145000000 0.000000000000 0.000000000000
0.090902000000 -0.099458000000 -0.152460000000 -0.240838000000 -0.422747000000 0.000000000000 0.000000000000
0.183398000000 -0.202812000000 -0.318258000000 -0.520067000000 -0.417162000000 0.000000000000 0.000000000000
0.266361000000 -0.260424000000 -0.256950000000 0.269485000000 1.469109000000 0.000000000000 0.000000000000
0.294541000000 -0.146265000000 0.282858000000 0.948422000000 -0.518750000000 0.000000000000 0.000000000000
0.258886000000 0.141214000000 0.604536000000 -0.461384000000 -1.137344000000 0.000000000000 0.000000000000
0.173003000000 0.400459000000 0.038477000000 -0.728293000000 1.335325000000 0.000000000000 0.000000000000
0.070241000000 0.400758000000 -0.566786000000 0.495635000000 -0.236874000000 0.000000000000 0.000000000000
0.008331000000 0.103033000000 -0.208510000000 0.296861000000 -0.465993000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
9.802900000000 3.493600000000 1.245100000000 0.443700000000 0.153880000000
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
7.935600000000 2.764800000000 0.963300000000 0.368280000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.807600000000 1.852600000000 0.787980000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
4.354900000000
1.000000000000
Ni:aug-cc-pwCVTZ
Dunning's correlation consistent basis set
5
0 1 2 3 4
10 9 7 4 3
23 19 11 4 3
5045991.000000000000 755614.199999999953 171956.799999999988 48704.790000000001 15888.410000000000 5735.123000000000 2236.137000000000 926.646800000000 403.174300000000 182.347600000000 84.548850000000 38.396340000000 18.458590000000 8.863548000000 5.740800000000 3.916227000000 1.838870000000 1.517200000000 0.804362000000 0.169797000000 0.079306000000 0.034677000000 0.015160000000
0.000008208996 -0.000003657849 0.000000000000 0.000000000000 0.000000959415 -0.000000201375 -0.000000730363 -0.000000392424 0.000000000000 0.000000000000
0.000063828840 -0.000028440940 0.000000000000 0.000000000000 0.000007462614 -0.000001565832 -0.000005802013 -0.000003113909 0.000000000000 0.000000000000
0.000335580000 -0.000149592800 0.000000000000 0.000000000000 0.000039238430 -0.000008237182 -0.000029585470 -0.000015904470 0.000000000000 0.000000000000
0.001415075000 -0.000631300900 0.000000000000 0.000000000000 0.000165786800 -0.000034781050 -0.000130149900 -0.000069813940 0.000000000000 0.000000000000
0.005124444000 -0.002293052000 0.000000000000 0.000000000000 0.000602590500 -0.000126526500 -0.000449533200 -0.000241784800 0.000000000000 0.000000000000
0.016432560000 -0.007405123000 0.000000000000 0.000000000000 0.001955662000 -0.000410258900 -0.001553314000 -0.000832619500 0.000000000000 0.000000000000
0.046893980000 -0.021520320000 0.000000000000 0.000000000000 0.005730391000 -0.001203834000 -0.004219884000 -0.002270294000 0.000000000000 0.000000000000
0.116353400000 -0.055609740000 0.000000000000 0.000000000000 0.015147560000 -0.003179062000 -0.012254190000 -0.006557427000 0.000000000000 0.000000000000
0.235051100000 -0.123017600000 0.000000000000 0.000000000000 0.034934990000 -0.007353828000 -0.025197070000 -0.013542880000 0.000000000000 0.000000000000
0.335018400000 -0.213010400000 0.000000000000 0.000000000000 0.065980720000 -0.013890220000 -0.056217170000 -0.029897680000 0.000000000000 0.000000000000
0.253477900000 -0.226583700000 0.000000000000 0.000000000000 0.078930830000 -0.016778750000 -0.050222290000 -0.026931060000 0.000000000000 0.000000000000
0.073009010000 0.035467960000 0.000000000000 0.000000000000 -0.019062490000 0.004163378000 -0.016774120000 -0.007827693000 0.000000000000 0.000000000000
0.061842440000 0.518169700000 0.000000000000 0.000000000000 -0.309592100000 0.068147030000 0.338802100000 0.174166700000 0.000000000000 0.000000000000
0.063029560000 0.502563000000 0.000000000000 0.000000000000 -0.455861000000 0.106102900000 0.398497500000 0.159546800000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.010080630000 0.089556740000 0.000000000000 0.000000000000 0.148293100000 -0.043399800000 -0.303205300000 0.019955500000 0.000000000000 0.000000000000
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0.000008115109 0.000422878800 0.000000000000 0.000000000000 -0.009151758000 0.569142600000 -1.709178000000 -0.599027700000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
21027.919999999998 4977.560000000000 1616.740000000000 618.671800000000 262.518300000000 119.690700000000 57.465850000000 28.528290000000 14.521480000000 8.687900000000 7.453850000000 3.723553000000 2.008000000000 1.809813000000 0.851336000000 0.324814000000 0.119522000000 0.042366000000 0.015020000000
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0.020859000000 0.000000000000 0.000000000000 0.339128000000 -0.194695000000 -0.489756000000 -0.082912000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
140.252700000000 41.726100000000 15.398100000000 6.277100000000 5.788200000000 2.712700000000 2.618500000000 1.052600000000 0.391600000000 0.126200000000 0.040670000000
0.000000000000 0.000000000000 0.003376000000 -0.003495000000 0.005052000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.025141000000 -0.026015000000 0.038087000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.097746000000 -0.103876000000 0.156113000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.234709000000 -0.252070000000 0.386156000000 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 0.346945000000 -0.294580000000 0.175605000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.351068000000 0.001152000000 -0.626807000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.250255000000 0.438589000000 -0.342775000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.100082000000 0.543626000000 0.791819000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.074800000000 3.119600000000 1.128600000000 0.408300000000
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
7.356200000000 2.977100000000 1.204850000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Ni:aug-cc-pwCVQZ
Dunning's correlation consistent basis set
6
0 1 2 3 4 5
11 10 8 5 4 3
25 21 14 5 4 3
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Ni:aug-cc-pwCV5Z
Dunning's correlation consistent basis set
7
0 1 2 3 4 5 6
12 11 9 6 5 4 3
31 23 15 6 5 4 3
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0.000000000000 0.000000000000 0.173003000000 0.400459000000 -0.728293000000 0.038477000000 1.335325000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.070241000000 0.400758000000 0.495635000000 -0.566786000000 -0.236874000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.008331000000 0.103033000000 0.296861000000 -0.208510000000 -0.465993000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
14.241300000000 6.378300000000 2.856600000000 1.279400000000 0.443700000000 0.153880000000
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
10.213600000000 5.073000000000 2.519700000000 0.963300000000 0.368280000000
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
8.966100000000 4.355600000000 1.852600000000 0.787980000000
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
9.015100000000 4.354900000000 2.103710000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Ni:def2-SV(P)
Weigend and Ahlrichs' Gaussian basis set
3
0 1 2
5 3 2
14 9 5
71074.803211000006 10672.020941000001 2428.138900700000 685.535951480000 223.100728630000 76.842014042000 148.711220160000 17.459154987000 7.162528066500 12.556137125000 2.073574048800 0.853826406020 0.105367662710 0.038134087688
0.001426038673 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.010928236994 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.054212626938 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.188747689020 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.383246169850 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.295506371440 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.110144430590 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.645214269880 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.447978381030 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.226454032240 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.723209592860 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.448680264760 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
916.736086620000 216.061399130000 68.383914817000 24.593843952000 9.139296020400 4.719337174600 1.816184923400 0.678407507200 0.146588000000
0.009343963561 0.000000000000 0.000000000000
0.069737374902 0.000000000000 0.000000000000
0.270734950120 0.000000000000 0.000000000000
0.530783015490 0.000000000000 0.000000000000
0.344102294380 0.000000000000 0.000000000000
0.000000000000 0.340760820160 0.000000000000
0.000000000000 0.565801696110 0.000000000000
0.000000000000 0.236167173610 0.000000000000
0.000000000000 0.000000000000 1.000000000000
47.093832108000 13.146463975000 4.417054892500 1.477156507800 0.437359217920
0.028982316948 0.000000000000
0.154949959500 0.000000000000
0.376331151110 0.000000000000
0.473650960140 0.000000000000
0.000000000000 0.312478378330
Ni:def2-SVP
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
5 3 2 1
14 9 5 1
71074.803211000006 10672.020941000001 2428.138900700000 685.535951480000 223.100728630000 76.842014042000 148.711220160000 17.459154987000 7.162528066500 12.556137125000 2.073574048800 0.853826406020 0.105367662710 0.038134087688
0.001426038673 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.010928236994 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.054212626938 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.188747689020 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.383246169850 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.295506371440 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.110144430590 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.645214269880 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.447978381030 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.226454032240 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.723209592860 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.448680264760 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
916.736086620000 216.061399130000 68.383914817000 24.593843952000 9.139296020400 4.719337174600 1.816184923400 0.678407507200 0.146588000000
0.009343963561 0.000000000000 0.000000000000
0.069737374902 0.000000000000 0.000000000000
0.270734950120 0.000000000000 0.000000000000
0.530783015490 0.000000000000 0.000000000000
0.344102294380 0.000000000000 0.000000000000
0.000000000000 0.340760820160 0.000000000000
0.000000000000 0.565801696110 0.000000000000
0.000000000000 0.236167173610 0.000000000000
0.000000000000 0.000000000000 1.000000000000
47.093832108000 13.146463975000 4.417054892500 1.477156507800 0.437359217920
0.028982316948 0.000000000000
0.154949959500 0.000000000000
0.376331151110 0.000000000000
0.473650960140 0.000000000000
0.000000000000 0.312478378330
2.174000000000
1.000000000000
Ni:def2-TZVP
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
6 4 4 1
17 11 7 1
351535.729349999980 52695.809283000002 11992.468293000000 3394.577668900000 1105.359458500000 397.146777690000 154.275429740000 61.018723780000 384.455597390000 119.048791990000 19.137012223000 8.152671856200 12.579408642000 2.087086608100 0.864325685550 0.132831692170 0.046845327726
0.000225293869 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001746861622 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009084999214 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.036940748447 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.120328199500 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.285967150570 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.409830201960 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.216206428510 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.024651279268 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.116585052770 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.548641266760 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.526400511220 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.227978842930 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.707037382150 0.000000000000 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
1883.090748600000 445.951553200000 143.084308150000 53.372920722000 21.321919357000 8.664356199400 34.144255211000 4.712245592100 1.870923184500 0.703700162670 0.146588000000
0.002374825844 0.000000000000 0.000000000000 0.000000000000
0.019289457172 0.000000000000 0.000000000000 0.000000000000
0.090718211507 0.000000000000 0.000000000000 0.000000000000
0.261814141170 0.000000000000 0.000000000000 0.000000000000
0.423091498320 0.000000000000 0.000000000000 0.000000000000
0.246416860150 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.029677129163 0.000000000000 0.000000000000
0.000000000000 0.556168240960 0.000000000000 0.000000000000
0.000000000000 0.963577664600 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
74.591603465000 21.590632752000 7.624614258000 2.863220676200 1.031106338800 0.330607606910 0.106000000000
0.012077454672 0.000000000000 0.000000000000 0.000000000000
0.074637262154 0.000000000000 0.000000000000 0.000000000000
0.232367755020 0.000000000000 0.000000000000 0.000000000000
0.390426516800 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.395094989210 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.211387691670 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.174000000000
1.000000000000
Ni:def2-TZVPP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
6 5 4 2 1
17 12 7 2 1
351535.729349999980 52695.809283000002 11992.468293000000 3394.577668900000 1105.359458500000 397.146777690000 154.275429740000 61.018723780000 384.455597390000 119.048791990000 19.137012223000 8.152671856200 12.579408642000 2.087086608100 0.864325685550 0.132831692170 0.046845327726
0.000225293869 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001746861622 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009084999214 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.036940748447 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.120328199500 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.285967150570 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.409830201960 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.216206428510 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.024651279268 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.116585052770 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.548641266760 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.526400511220 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.227978842930 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.707037382150 0.000000000000 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
1883.090748600000 445.951553200000 143.084308150000 53.372920722000 21.321919357000 8.664356199400 34.144255211000 4.712245592100 1.870923184500 0.703700162670 0.264600000000 0.099550000000
0.002374825844 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.019289457172 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.090718211507 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.261814141170 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.423091498320 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.246416860150 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.029677129163 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.556168240960 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.963577664600 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
74.591603465000 21.590632752000 7.624614258000 2.863220676200 1.031106338800 0.330607606910 0.106000000000
0.012077454672 0.000000000000 0.000000000000 0.000000000000
0.074637262154 0.000000000000 0.000000000000 0.000000000000
0.232367755020 0.000000000000 0.000000000000 0.000000000000
0.390426516800 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.395094989210 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.211387691670 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.446000000000 1.087000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
2.872000000000
1.000000000000
Ni:def2-QZVP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
11 6 5 3 1
24 18 10 3 1
5037649.953200000338 754246.394179999945 171644.160100000008 48617.230285999998 15860.961794999999 5726.001865300000 2232.954731700000 925.496491010000 402.753369130000 182.194228560000 84.494109788000 1678.056458600000 519.213583260000 198.958816070000 85.901180703000 38.435760123000 18.252349351000 8.728361693900 3.761624566200 1.802821733800 0.795071405130 0.170317202840 0.078971236177 0.034503486750
0.000008607278 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000066935355 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000351908012 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001483908271 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.005373634426 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.017233376287 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.049211476915 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.122325045360 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.248292515880 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.358254761940 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.278818655530 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.008246287089 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.081505940361 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.374957276510 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.708417438320 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 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
9156.570145300000 2169.023952600000 703.989189910000 268.362932150000 113.102887960000 50.955539222000 23.896708209000 11.498241522000 5.441090805600 75.938560736000 27.037350184000 5.340468743200 2.470018136100 1.109502906400 0.458997671010 0.187000000000 0.076200000000 0.031000000000
0.000173464184 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001525722049 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.008516328104 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.035117466952 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.110202753830 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.251626016700 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.382463898530 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.309072302670 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.087194377415 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.007463554663 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.036453401627 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.356335494060 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.737741219920 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.594393830240 0.000000000000 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
258.111311420000 77.254891371000 29.500240033000 12.477446945000 5.607045511100 2.542774416300 1.123829677400 0.473611714590 0.181618583190 0.071000000000
0.002372627427 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.020330132784 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.092748486665 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.280822845600 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.573926578800 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.787660585270 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.778687904230 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.529322343480 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.174781682420 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6.758000000000 2.174000000000 0.681000000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.872000000000
1.000000000000
Ni:def2-QZVPP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
11 6 5 4 2
24 18 10 4 2
5037649.953200000338 754246.394179999945 171644.160100000008 48617.230285999998 15860.961794999999 5726.001865300000 2232.954731700000 925.496491010000 402.753369130000 182.194228560000 84.494109788000 1678.056458600000 519.213583260000 198.958816070000 85.901180703000 38.435760123000 18.252349351000 8.728361693900 3.761624566200 1.802821733800 0.795071405130 0.170317202840 0.078971236177 0.034503486750
0.000008607278 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000066935355 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000351908012 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001483908271 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.005373634426 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.017233376287 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.049211476915 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.122325045360 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.248292515880 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.358254761940 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.278818655530 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.008246287089 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.081505940361 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.374957276510 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.708417438320 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 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
9156.570145300000 2169.023952600000 703.989189910000 268.362932150000 113.102887960000 50.955539222000 23.896708209000 11.498241522000 5.441090805600 75.938560736000 27.037350184000 5.340468743200 2.470018136100 1.109502906400 0.458997671010 0.187000000000 0.076200000000 0.031000000000
0.000173464184 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001525722049 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.008516328104 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.035117466952 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.110202753830 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.251626016700 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.382463898530 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.309072302670 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.087194377415 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.007463554663 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.036453401627 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.356335494060 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.737741219920 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.594393830240 0.000000000000 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
258.111311420000 77.254891371000 29.500240033000 12.477446945000 5.607045511100 2.542774416300 1.123829677400 0.473611714590 0.181618583190 0.071000000000
0.002372627427 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.020330132784 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.092748486665 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.280822845600 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.573926578800 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.787660585270 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.778687904230 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.529322343480 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.174781682420 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6.758000000000 2.174000000000 0.681000000000 0.213000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.294000000000 1.558000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Ni:def2-SVPD
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
5 4 2 1
14 10 5 1
71074.803211000006 10672.020941000001 2428.138900700000 685.535951480000 223.100728630000 76.842014042000 148.711220160000 17.459154987000 7.162528066500 12.556137125000 2.073574048800 0.853826406020 0.105367662710 0.038134087688
0.001426038673 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.010928236994 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.054212626938 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.188747689020 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.383246169850 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.295506371440 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.110144430590 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.645214269880 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.447978381030 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.226454032240 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.723209592860 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.448680264760 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
916.736086620000 216.061399130000 68.383914817000 24.593843952000 9.139296020400 4.719337174600 1.816184923400 0.678407507200 0.146588000000 0.038905548722
0.009343963561 0.000000000000 0.000000000000 0.000000000000
0.069737374902 0.000000000000 0.000000000000 0.000000000000
0.270734950120 0.000000000000 0.000000000000 0.000000000000
0.530783015490 0.000000000000 0.000000000000 0.000000000000
0.344102294380 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.340760820160 0.000000000000 0.000000000000
0.000000000000 0.565801696110 0.000000000000 0.000000000000
0.000000000000 0.236167173610 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
47.093832108000 13.146463975000 4.417054892500 1.477156507800 0.437359217920
0.028982316948 0.000000000000
0.154949959500 0.000000000000
0.376331151110 0.000000000000
0.473650960140 0.000000000000
0.000000000000 0.312478378330
2.174000000000
1.000000000000
Ni:def2-TZVPD
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
6 5 4 1
17 12 7 1
351535.729349999980 52695.809283000002 11992.468293000000 3394.577668900000 1105.359458500000 397.146777690000 154.275429740000 61.018723780000 384.455597390000 119.048791990000 19.137012223000 8.152671856200 12.579408642000 2.087086608100 0.864325685550 0.132831692170 0.046845327726
0.000225293869 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001746861622 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009084999214 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.036940748447 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.120328199500 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.285967150570 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.409830201960 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.216206428510 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.024651279268 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.116585052770 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.548641266760 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.526400511220 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.227978842930 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.707037382150 0.000000000000 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
1883.090748600000 445.951553200000 143.084308150000 53.372920722000 21.321919357000 8.664356199400 34.144255211000 4.712245592100 1.870923184500 0.703700162670 0.146588000000 0.036887339850
0.002374825844 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.019289457172 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.090718211507 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.261814141170 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.423091498320 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.246416860150 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.029677129163 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.556168240960 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.963577664600 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
74.591603465000 21.590632752000 7.624614258000 2.863220676200 1.031106338800 0.330607606910 0.106000000000
0.012077454672 0.000000000000 0.000000000000 0.000000000000
0.074637262154 0.000000000000 0.000000000000 0.000000000000
0.232367755020 0.000000000000 0.000000000000 0.000000000000
0.390426516800 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.395094989210 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.211387691670 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.174000000000
1.000000000000
Ni:def2-TZVPPD
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
6 6 4 2 1
17 13 7 2 1
351535.729349999980 52695.809283000002 11992.468293000000 3394.577668900000 1105.359458500000 397.146777690000 154.275429740000 61.018723780000 384.455597390000 119.048791990000 19.137012223000 8.152671856200 12.579408642000 2.087086608100 0.864325685550 0.132831692170 0.046845327726
0.000225293869 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001746861622 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009084999214 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.036940748447 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.120328199500 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.285967150570 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.409830201960 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.216206428510 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.024651279268 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.116585052770 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.548641266760 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.526400511220 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.227978842930 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.707037382150 0.000000000000 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
1883.090748600000 445.951553200000 143.084308150000 53.372920722000 21.321919357000 8.664356199400 34.144255211000 4.712245592100 1.870923184500 0.703700162670 0.264600000000 0.099550000000 0.036887339850
0.002374825844 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.019289457172 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.090718211507 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.261814141170 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.423091498320 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.246416860150 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.029677129163 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.556168240960 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.963577664600 0.000000000000 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
74.591603465000 21.590632752000 7.624614258000 2.863220676200 1.031106338800 0.330607606910 0.106000000000
0.012077454672 0.000000000000 0.000000000000 0.000000000000
0.074637262154 0.000000000000 0.000000000000 0.000000000000
0.232367755020 0.000000000000 0.000000000000 0.000000000000
0.390426516800 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.395094989210 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.211387691670 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.446000000000 1.087000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
2.872000000000
1.000000000000
Ni:def2-QZVPD
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
11 6 5 3 1
24 18 10 3 1
5037649.953200000338 754246.394179999945 171644.160100000008 48617.230285999998 15860.961794999999 5726.001865300000 2232.954731700000 925.496491010000 402.753369130000 182.194228560000 84.494109788000 1678.056458600000 519.213583260000 198.958816070000 85.901180703000 38.435760123000 18.252349351000 8.728361693900 3.761624566200 1.802821733800 0.795071405130 0.170317202840 0.078971236177 0.034503486750
0.000008607278 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000066935355 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000351908012 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001483908271 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.005373634426 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.017233376287 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.049211476915 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.122325045360 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.248292515880 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.358254761940 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.278818655530 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.374957276510 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.708417438320 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 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
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
9156.570145300000 2169.023952600000 703.989189910000 268.362932150000 113.102887960000 50.955539222000 23.896708209000 11.498241522000 5.441090805600 75.938560736000 27.037350184000 5.340468743200 2.470018136100 1.109502906400 0.458997671010 0.187000000000 0.076200000000 0.031000000000
0.000173464184 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001525722049 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.008516328104 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.035117466952 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.110202753830 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.251626016700 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.382463898530 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.309072302670 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.087194377415 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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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
258.111311420000 77.254891371000 29.500240033000 12.477446945000 5.607045511100 2.542774416300 1.123829677400 0.473611714590 0.181618583190 0.071000000000
0.002372627427 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.020330132784 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.092748486665 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.280822845600 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.573926578800 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.787660585270 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6.758000000000 2.174000000000 0.681000000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.872000000000
1.000000000000
Ni:def2-QZVPPD
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
11 6 5 4 2
24 18 10 4 2
5037649.953200000338 754246.394179999945 171644.160100000008 48617.230285999998 15860.961794999999 5726.001865300000 2232.954731700000 925.496491010000 402.753369130000 182.194228560000 84.494109788000 1678.056458600000 519.213583260000 198.958816070000 85.901180703000 38.435760123000 18.252349351000 8.728361693900 3.761624566200 1.802821733800 0.795071405130 0.170317202840 0.078971236177 0.034503486750
0.000008607278 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000066935355 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000351908012 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001483908271 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.005373634426 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.017233376287 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.049211476915 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.122325045360 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.248292515880 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.358254761940 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.278818655530 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.008246287089 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.081505940361 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.374957276510 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.708417438320 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 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
9156.570145300000 2169.023952600000 703.989189910000 268.362932150000 113.102887960000 50.955539222000 23.896708209000 11.498241522000 5.441090805600 75.938560736000 27.037350184000 5.340468743200 2.470018136100 1.109502906400 0.458997671010 0.187000000000 0.076200000000 0.031000000000
0.000173464184 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001525722049 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.008516328104 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.035117466952 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.110202753830 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.251626016700 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.382463898530 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.309072302670 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.087194377415 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.007463554663 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.036453401627 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.356335494060 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.737741219920 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.594393830240 0.000000000000 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
258.111311420000 77.254891371000 29.500240033000 12.477446945000 5.607045511100 2.542774416300 1.123829677400 0.473611714590 0.181618583190 0.071000000000
0.002372627427 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.020330132784 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.092748486665 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.280822845600 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.573926578800 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.787660585270 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.778687904230 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.529322343480 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.174781682420 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6.758000000000 2.174000000000 0.681000000000 0.213000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.294000000000 1.558000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Ni:LANL2DZ
Hay and Wadt's LANL2DZ Gaussian basis set
3
0 1 2
3 3 2
5 5 5
7.620000000000 2.294000000000 0.876000000000 0.115300000000 0.039600000000
-0.408255000000 0.187259100000 0.000000000000
0.745530800000 -0.396696400000 0.000000000000
0.532572100000 -0.495400300000 0.000000000000
0.000000000000 1.084434300000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
23.660000000000 2.893000000000 0.943500000000 0.084000000000 0.024000000000
-0.048155800000 0.000000000000 0.000000000000
0.625847300000 0.000000000000 0.000000000000
0.471515800000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
42.720000000000 11.760000000000 3.817000000000 1.169000000000 0.283600000000
0.037269900000 0.000000000000
0.195610300000 0.000000000000
0.456127300000 0.000000000000
0.562158700000 0.000000000000
0.000000000000 1.000000000000
Ni:aug-cc-pwCVTZ-RI
Hattig's auxiliary basis set
7
0 1 2 3 4 5 6
15 14 12 11 9 6 4
15 14 12 11 9 6 4
1284.860000000000 439.819000000000 118.997000000000 49.008500000000 27.364400000000 13.226400000000 8.340350000000 5.188950000000 2.887660000000 1.371990000000 0.909571000000 0.499659000000 0.197246000000 0.099744000000 0.058828000000
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 0.000000000000
0.000000000000 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
0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 1.000000000000
552.462000000000 224.318000000000 53.648000000000 24.040600000000 11.363800000000 7.144500000000 3.836560000000 2.789800000000 1.468600000000 0.939596000000 0.493902000000 0.231605000000 0.106378000000 0.052826000000
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
0.000000000000 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 0.000000000000 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 0.000000000000 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 0.000000000000 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 0.000000000000 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 0.000000000000 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 0.000000000000 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 0.000000000000 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 0.000000000000 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 0.000000000000 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 0.000000000000 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 0.000000000000 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 0.000000000000 1.000000000000
228.619000000000 72.296900000000 31.853300000000 13.760800000000 8.536660000000 5.062760000000 3.272640000000 1.677950000000 0.961258000000 0.493116000000 0.189677000000 0.088601000000
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
105.914000000000 40.456600000000 17.562500000000 9.420130000000 6.022280000000 3.758710000000 1.878680000000 1.199310000000 0.634181000000 0.298671000000 0.171206000000
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
46.117300000000 19.726100000000 10.357200000000 6.603900000000 3.979670000000 2.023580000000 1.292730000000 0.845169000000 0.343500000000
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
22.186300000000 11.072800000000 6.744430000000 4.316070000000 1.871260000000 0.831657000000
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
14.924100000000 9.007460000000 4.377890000000 1.975180000000
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
Ni:def2-SV(P)-RI
Weigend's auxiliary basis set
5
0 1 2 3 4
9 7 5 3 2
11 9 7 6 4
71.974004000000 33.789715000000 16.473453000000 8.313425000000 4.327166000000 2.313786000000 1.265471000000 0.704639000000 0.397493000000 0.226004000000 0.128840000000
0.129691770000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.105847450000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-1.215526220000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
234.728835330000 49.785803710000 17.608360160000 4.952412950000 2.004574090000 1.001125390000 0.486240110000 0.321374720000 0.100266510000
-0.385846940000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.559578310000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -1.093840710000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.902684820000 0.000000000000 0.000000000000 0.000000000000 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
93.429970760000 22.645210420000 7.500883070000 3.889709970000 1.691578710000 0.642174130000 0.426435210000
1.439935260000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
10.000374810000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.367189210000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.468713970000 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
52.744418130000 9.386809020000 5.186402520000 2.041827290000 1.188408650000 0.478718750000
-1.472272050000 0.000000000000 0.000000000000
2.079872160000 0.000000000000 0.000000000000
2.286372590000 0.000000000000 0.000000000000
0.605339180000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
16.220555330000 5.382050980000 2.105561630000 0.724001550000
1.651499650000 0.000000000000
1.723618520000 0.000000000000
-0.273870270000 0.000000000000
0.000000000000 1.000000000000
Ni:def2-SVP-RI
Weigend's auxiliary basis set
6
0 1 2 3 4 5
9 9 6 4 3 2
9 9 6 4 3 2
34.267900000000 16.510600000000 7.763620000000 3.450470000000 1.732850000000 0.866228000000 0.417353000000 0.196000000000 0.079265800000
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
68.685100000000 26.782900000000 13.391400000000 4.276400000000 1.974500000000 0.830956000000 0.412243000000 0.219316000000 0.111574000000
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
32.703100000000 13.230500000000 6.668150000000 2.595860000000 1.199350000000 0.541767000000
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
6.740070000000 3.397320000000 1.529890000000 0.674841000000
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
12.824500000000 4.120460000000 1.079730000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
7.384900000000 3.412270000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Ni:def2-TZVP-RI
Weigend's auxiliary basis set
6
0 1 2 3 4 5
9 8 8 6 5 2
11 9 8 6 5 2
71.974004000000 33.789715000000 16.473453000000 8.313425000000 4.327166000000 2.313786000000 1.265471000000 0.704639000000 0.397493000000 0.226004000000 0.128840000000
0.129691770000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.105847450000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-1.215526220000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
234.728835330000 49.785803710000 17.608360160000 4.952412950000 2.004574090000 1.001125390000 0.486240110000 0.321374720000 0.100266510000
-0.385846940000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.559578310000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -1.093840710000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.902684820000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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
88.328900000000 26.049400000000 6.941190000000 3.461490000000 1.959280000000 0.876141000000 0.467651000000 0.173408000000
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
55.207400000000 8.792340000000 4.276650000000 2.282660000000 1.228320000000 0.484027000000
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
16.699000000000 5.342050000000 2.633500000000 0.935808000000 0.540508000000
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
7.087190000000 3.359580000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Ni:def2-TZVPP-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
9 9 8 7 5 3 1
9 9 8 7 5 3 1
29.821500000000 13.015700000000 5.515370000000 2.313790000000 1.265470000000 0.704639000000 0.397493000000 0.226004000000 0.128840000000
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
43.267900000000 15.172800000000 4.952410000000 2.004570000000 1.001130000000 0.486240000000 0.321375000000 0.132159000000 0.081450900000
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
90.470800000000 17.394600000000 7.500880000000 3.889710000000 1.691580000000 0.835000000000 0.491800000000 0.175522000000
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
46.490300000000 11.046000000000 5.979270000000 3.002070000000 1.503040000000 0.804340000000 0.336979000000
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
18.318100000000 6.434460000000 3.232920000000 1.565060000000 0.726854000000
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
10.875500000000 4.993120000000 2.005170000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
4.984750000000
1.000000000000
Ni:def2-QZVPP-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
15 13 11 9 7 5 2
15 13 11 9 7 5 2
3564.510000000000 752.037000000000 304.861000000000 95.831200000000 49.116900000000 28.597900000000 16.313800000000 10.999400000000 6.370280000000 3.151110000000 1.224080000000 0.689582000000 0.330996000000 0.163201000000 0.070996000000
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 0.000000000000
0.000000000000 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
0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 1.000000000000
682.799000000000 168.533000000000 76.343500000000 36.278800000000 21.118300000000 12.847300000000 6.808050000000 3.180220000000 1.773210000000 0.714523000000 0.276795000000 0.142724000000 0.080921900000
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
114.508000000000 44.542400000000 26.423500000000 13.458400000000 7.207900000000 2.995570000000 1.820160000000 0.863312000000 0.546057000000 0.289019000000 0.125811000000
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
53.682400000000 15.081900000000 8.854540000000 5.027660000000 2.610470000000 1.258630000000 0.738373000000 0.330248000000 0.168625000000
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
25.897000000000 10.046100000000 6.544810000000 3.249180000000 1.980060000000 0.973497000000 0.454923000000
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
13.848400000000 7.506390000000 3.420870000000 1.493300000000 0.555266000000
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
8.744020000000 2.734990000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Ni:def2-SVPD-RI
Weigend's auxiliary basis set
6
0 1 2 3 4 5
10 10 7 4 3 2
10 10 7 4 3 2
34.267900000000 16.510600000000 7.763620000000 3.450470000000 1.732850000000 0.866228000000 0.417353000000 0.196000000000 0.079265800000 0.036278300000
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
68.685100000000 26.782900000000 13.391400000000 4.276400000000 1.974500000000 0.830956000000 0.412243000000 0.219316000000 0.111574000000 0.056444700000
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
32.703100000000 13.230500000000 6.668150000000 2.595860000000 1.199350000000 0.541767000000 0.154658000000
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
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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
6.740070000000 3.397320000000 1.529890000000 0.674841000000
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
12.824500000000 4.120460000000 1.079730000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
7.384900000000 3.412270000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Ni:def2-TZVPD-RI
Weigend's auxiliary basis set
6
0 1 2 3 4 5
10 9 9 6 5 2
12 10 9 6 5 2
71.974004000000 33.789715000000 16.473453000000 8.313425000000 4.327166000000 2.313786000000 1.265471000000 0.704639000000 0.397493000000 0.226004000000 0.128840000000 0.041101800000
0.129691770000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.105847450000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-1.215526220000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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
234.728835330000 49.785803710000 17.608360160000 4.952412950000 2.004574090000 1.001125390000 0.486240110000 0.321374720000 0.100266510000 0.020630800000
-0.385846940000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.559578310000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -1.093840710000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.902684820000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 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
88.328900000000 26.049400000000 6.941190000000 3.461490000000 1.959280000000 0.876141000000 0.467651000000 0.173408000000 0.121812000000
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
55.207400000000 8.792340000000 4.276650000000 2.282660000000 1.228320000000 0.484027000000
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
16.699000000000 5.342050000000 2.633500000000 0.935808000000 0.540508000000
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
7.087190000000 3.359580000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Ni:def2-TZVPPD-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
10 10 9 7 5 3 1
10 10 9 7 5 3 1
29.821500000000 13.015700000000 5.515370000000 2.313790000000 1.265470000000 0.704639000000 0.397493000000 0.226004000000 0.128840000000 0.041101800000
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
43.267900000000 15.172800000000 4.952410000000 2.004570000000 1.001130000000 0.486240000000 0.321375000000 0.132159000000 0.081450900000 0.020630800000
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
90.470800000000 17.394600000000 7.500880000000 3.889710000000 1.691580000000 0.835000000000 0.491800000000 0.175522000000 0.121812000000
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
46.490300000000 11.046000000000 5.979270000000 3.002070000000 1.503040000000 0.804340000000 0.336979000000
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
18.318100000000 6.434460000000 3.232920000000 1.565060000000 0.726854000000
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
10.875500000000 4.993120000000 2.005170000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
4.984750000000
1.000000000000
Ni:def2-QZVPPD-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
15 13 11 9 7 5 2
15 13 11 9 7 5 2
3564.510000000000 752.037000000000 304.861000000000 95.831200000000 49.116900000000 28.597900000000 16.313800000000 10.999400000000 6.370280000000 3.151110000000 1.224080000000 0.689582000000 0.330996000000 0.163201000000 0.070996000000
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 0.000000000000
0.000000000000 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
0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 1.000000000000
682.799000000000 168.533000000000 76.343500000000 36.278800000000 21.118300000000 12.847300000000 6.808050000000 3.180220000000 1.773210000000 0.714523000000 0.276795000000 0.142724000000 0.080921900000
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
114.508000000000 44.542400000000 26.423500000000 13.458400000000 7.207900000000 2.995570000000 1.820160000000 0.863312000000 0.546057000000 0.289019000000 0.125811000000
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
53.682400000000 15.081900000000 8.854540000000 5.027660000000 2.610470000000 1.258630000000 0.738373000000 0.330248000000 0.168625000000
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
25.897000000000 10.046100000000 6.544810000000 3.249180000000 1.980060000000 0.973497000000 0.454923000000
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
13.848400000000 7.506390000000 3.420870000000 1.493300000000 0.555266000000
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
8.744020000000 2.734990000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Ni:def2-QZVPP-RI-JK
Weigend's Coulomb/exchange fitting basis set
7
0 1 2 3 4 5 6
16 13 11 9 5 3 1
19 14 12 10 7 3 1
12568.452327999999 5031.553151700000 2098.493484400000 910.985131000000 411.194042700000 192.736021000000 93.673677200000 47.127397300000 24.495927800000 13.126245700000 7.233900500000 4.089289000000 2.364430000000 1.394044700000 0.835378500000 0.507059100000 0.310638700000 0.191374400000 0.118120500000
0.125150130800 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.170922774900 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.518057819700 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.828697137200 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 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 0.000000000000
0.000000000000 0.000000000000 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
0.000000000000 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.397496324700 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.917603766300 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
417.595520600000 168.753301000000 70.883582100000 30.863071400000 13.886051200000 6.433609600000 3.057786600000 1.484694900000 0.733200400000 0.366555200000 0.184623300000 0.093221500000
0.283381895900 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.959007143400 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 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
132.274065000000 47.418487200000 20.435010900000 9.118515300000 4.255170400000 1.945424400000 0.859026900000 0.446475600000 0.220417300000 0.111433800000
0.290454051500 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.956888940200 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
55.100511900000 21.336895200000 9.593435000000 4.429216400000 2.040902400000 0.987877000000 0.476547200000
0.106975819000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.419158923000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.696847730900 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.572070984500 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
11.449128764000 3.466550992400 1.049597400000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
6.299919735800
1.000000000000
Ni:def2-QZVPP-RI-J
Weigend's Coulomb fitting basis set
5
0 1 2 3 4
8 5 5 2 3
19 5 5 3 3
22563.978783999999 4592.708505100000 1589.172404000000 934.807270200000 549.886614100000 323.462705100000 111.924805200000 65.838118800000 38.728304100000 22.781354700000 13.400796500000 7.882821300000 4.636953600000 2.727619700000 1.604482100000 0.943813000000 0.555184100000 0.326578900000 0.113003100000
2.347163300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
9.492905500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
16.245658200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
11.202031200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
16.926154200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
10.148128700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-2.802679800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
4.546058400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
16.348506700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
10.698494500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-3.967008000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-1.780847800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 3.626903600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 4.352738700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.123541400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.694071200000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.125665900000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.226236100000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.039641400000
3.187542800000 1.289645800000 0.528944200000 0.218747700000 0.090715500000
-0.013547600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.048787900000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.036810300000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.014146700000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.011460600000
9.703265800000 3.976468800000 1.629585600000 0.672327200000 0.278514700000
0.002362700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.017928100000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.017379300000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.004824100000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.011857600000
2.239407100000 0.652337800000 0.191037300000
-0.006669200000 0.000000000000
0.008357000000 0.000000000000
0.000000000000 0.000069000000
15.962750600000 5.132145100000 1.661920500000
0.056729800000 0.000000000000 0.000000000000
0.000000000000 0.060043600000 0.000000000000
0.000000000000 0.000000000000 0.020189800000
Ni:LANL2DZ-ECP-10
LANL2DZ ECP
*
NCORE = 10 LMAX =2
d-ul
-10.000000000000 1 469.932433100000
-69.408480500000 2 85.423641100000
-12.095102000000 2 21.267498400000
s-ul
3.000000000000 0 162.168609700000
22.025361800000 1 176.533323200000
443.018108800000 2 68.956201000000
145.569641100000 2 13.579283800000
p-ul
5.000000000000 0 69.018150600000
4.988282400000 1 275.595559600000
256.694585300000 2 47.131545300000
78.475445000000 2 12.987407500000
*
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