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

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Tc:cc-pVDZ-PP
Peterson's correlation consistent ECP basis set
4
0 1 2 3
4 4 3 1
8 7 6 1
132.656000000000 19.898600000000 12.445000000000 4.360500000000 1.044360000000 0.474159000000 0.098736000000 0.036736000000
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0.404479000000 -0.178992000000 0.000000000000
0.278877000000 0.534656000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.722800000000
1.000000000000
Tc:cc-pVTZ-PP
Peterson's correlation consistent ECP basis set
5
0 1 2 3 4
5 5 4 2 1
10 9 8 2 1
188.509000000000 17.808000000000 11.131000000000 6.954830000000 3.976400000000 1.093810000000 0.504008000000 0.127206000000 0.063047000000 0.028408000000
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1.449400000000 0.401500000000
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0.871700000000
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Tc:cc-pVQZ-PP
Peterson's correlation consistent ECP basis set
6
0 1 2 3 4 5
6 6 5 3 2 1
14 11 10 3 2 1
7011.080000000000 1046.100000000000 230.493000000000 33.321800000000 20.810500000000 12.997500000000 4.830510000000 3.015520000000 1.370620000000 0.735836000000 0.378816000000 0.133549000000 0.060156000000 0.026923000000
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1.468300000000 0.482300000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
0.993200000000
1.000000000000
Tc:cc-pV5Z-PP
Peterson's correlation consistent ECP basis set
7
0 1 2 3 4 5 6
7 7 6 4 3 2 1
16 13 11 4 3 2 1
17206.099999999999 2992.560000000000 736.991000000000 205.553000000000 33.215100000000 20.674800000000 12.912800000000 4.929600000000 3.078000000000 1.433070000000 0.785094000000 0.410958000000 0.163552000000 0.083108000000 0.041291000000 0.020696000000
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1.279600000000
1.000000000000
Tc:aug-cc-pVDZ-PP
Peterson's correlation consistent ECP basis set
4
0 1 2 3
5 5 4 2
9 8 7 2
132.656000000000 19.898600000000 12.445000000000 4.360500000000 1.044360000000 0.474159000000 0.098736000000 0.036736000000 0.013700000000
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0.018378000000 0.632998000000 -1.551191000000 0.000000000000 0.000000000000
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12.178900000000 5.684840000000 1.439830000000 0.678909000000 0.302515000000 0.107307000000 0.038177000000 0.013600000000
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0.722800000000 0.227200000000
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0.000000000000 1.000000000000
Tc:aug-cc-pVTZ-PP
Peterson's correlation consistent ECP basis set
5
0 1 2 3 4
6 6 5 3 2
11 10 9 3 2
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Tc:aug-cc-pVQZ-PP
Peterson's correlation consistent ECP basis set
6
0 1 2 3 4 5
7 7 6 4 3 2
15 12 11 4 3 2
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-0.150049000000 0.047524000000 0.077871000000 0.138642000000 0.188445000000 0.000000000000 0.000000000000
-0.115353000000 0.032645000000 0.057303000000 0.130166000000 0.420931000000 0.000000000000 0.000000000000
0.297010000000 -0.102289000000 -0.177236000000 -0.434368000000 -1.623102000000 0.000000000000 0.000000000000
0.490187000000 -0.184074000000 -0.325738000000 -0.798223000000 -0.235656000000 0.000000000000 0.000000000000
0.326540000000 -0.134698000000 -0.188349000000 0.541308000000 2.863084000000 0.000000000000 0.000000000000
0.087384000000 0.103692000000 0.369404000000 1.225484000000 -2.032403000000 0.000000000000 0.000000000000
0.006065000000 0.422428000000 0.627601000000 -0.591930000000 -0.438122000000 0.000000000000 0.000000000000
0.001126000000 0.482808000000 0.207884000000 -0.592629000000 0.962481000000 0.000000000000 0.000000000000
0.000000000000 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
71.181300000000 19.531900000000 7.237430000000 2.611340000000 1.477340000000 0.788005000000 0.404935000000 0.200364000000 0.094911000000 0.041945000000 0.018500000000
0.000175000000 -0.000194000000 0.000395000000 -0.000234000000 0.000000000000 0.000000000000
0.001722000000 -0.001743000000 0.002509000000 -0.005519000000 0.000000000000 0.000000000000
-0.013832000000 0.014403000000 -0.023028000000 0.044641000000 0.000000000000 0.000000000000
0.074066000000 -0.084459000000 0.192811000000 -0.388232000000 0.000000000000 0.000000000000
0.218574000000 -0.266903000000 0.542520000000 -0.804254000000 0.000000000000 0.000000000000
0.313460000000 -0.336034000000 0.130349000000 1.159662000000 0.000000000000 0.000000000000
0.307909000000 -0.031505000000 -0.781188000000 0.537426000000 0.000000000000 0.000000000000
0.221354000000 0.387068000000 -0.361346000000 -1.302487000000 0.000000000000 0.000000000000
0.105110000000 0.474462000000 0.551245000000 0.153728000000 0.000000000000 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
2.538900000000 0.828000000000 0.270000000000 0.095600000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.468300000000 0.482300000000 0.190700000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.993200000000 0.406300000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Tc:aug-cc-pV5Z-PP
Peterson's correlation consistent ECP basis set
7
0 1 2 3 4 5 6
8 8 7 5 4 3 2
17 14 12 5 4 3 2
17206.099999999999 2992.560000000000 736.991000000000 205.553000000000 33.215100000000 20.674800000000 12.912800000000 4.929600000000 3.078000000000 1.433070000000 0.785094000000 0.410958000000 0.163552000000 0.083108000000 0.041291000000 0.020696000000 0.010400000000
0.000003000000 -0.000001000000 -0.000002000000 -0.000003000000 -0.000003000000 0.000025000000 0.000000000000 0.000000000000
0.000017000000 -0.000006000000 -0.000011000000 -0.000023000000 -0.000040000000 -0.000124000000 0.000000000000 0.000000000000
0.000080000000 -0.000025000000 -0.000059000000 -0.000072000000 -0.000051000000 0.001260000000 0.000000000000 0.000000000000
0.000267000000 -0.000093000000 -0.000167000000 -0.000396000000 -0.000745000000 -0.003543000000 0.000000000000 0.000000000000
0.007869000000 -0.002274000000 -0.005612000000 -0.004610000000 0.001400000000 0.180367000000 0.000000000000 0.000000000000
-0.060148000000 0.018076000000 0.040437000000 0.047937000000 0.036290000000 -0.758128000000 0.000000000000 0.000000000000
0.180093000000 -0.056630000000 -0.121838000000 -0.174436000000 -0.200482000000 1.399960000000 0.000000000000 0.000000000000
-0.395958000000 0.141500000000 0.317545000000 0.493176000000 0.619512000000 -5.056017000000 0.000000000000 0.000000000000
-0.304351000000 0.089677000000 0.176119000000 0.499397000000 1.230167000000 5.928685000000 0.000000000000 0.000000000000
0.463165000000 -0.182078000000 -0.417470000000 -1.945712000000 -7.058945000000 2.636138000000 0.000000000000 0.000000000000
0.650615000000 -0.311097000000 -1.236289000000 -1.177407000000 8.033541000000 -11.832441000000 0.000000000000 0.000000000000
0.261189000000 -0.219591000000 0.621529000000 3.894977000000 -1.715456000000 12.991862000000 0.000000000000 0.000000000000
0.019336000000 0.166146000000 1.731995000000 -1.429127000000 -4.700965000000 -10.525401000000 0.000000000000 0.000000000000
-0.002260000000 0.521688000000 -0.423958000000 -1.710360000000 5.793286000000 6.931890000000 0.000000000000 0.000000000000
0.002379000000 0.440625000000 -0.766206000000 1.274481000000 -1.943341000000 -1.163726000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 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
110.094000000000 19.376300000000 12.103900000000 7.560590000000 4.488070000000 1.809570000000 1.036570000000 0.579218000000 0.313745000000 0.156850000000 0.079152000000 0.039936000000 0.019805000000 0.009800000000
0.000158000000 -0.000049000000 -0.000079000000 -0.000125000000 -0.000219000000 -0.001054000000 0.000000000000 0.000000000000
-0.003582000000 0.001078000000 0.001684000000 0.002088000000 0.003902000000 0.040201000000 0.000000000000 0.000000000000
0.047304000000 -0.014659000000 -0.023772000000 -0.038547000000 -0.064330000000 -0.258629000000 0.000000000000 0.000000000000
-0.090164000000 0.029809000000 0.048111000000 0.078691000000 0.128310000000 0.555595000000 0.000000000000 0.000000000000
-0.134723000000 0.038817000000 0.066693000000 0.137987000000 0.282021000000 0.122429000000 0.000000000000 0.000000000000
0.269351000000 -0.096552000000 -0.165981000000 -0.391983000000 -1.376160000000 -4.167936000000 0.000000000000 0.000000000000
0.433391000000 -0.157967000000 -0.283298000000 -0.735074000000 -0.510569000000 6.065911000000 0.000000000000 0.000000000000
0.330741000000 -0.142792000000 -0.222208000000 0.212676000000 2.745900000000 -1.909360000000 0.000000000000 0.000000000000
0.123193000000 0.030524000000 0.207444000000 1.269503000000 -0.816742000000 -2.627647000000 0.000000000000 0.000000000000
0.016635000000 0.288455000000 0.568403000000 0.024508000000 -1.658802000000 3.044255000000 0.000000000000 0.000000000000
0.001288000000 0.445718000000 0.367465000000 -0.814124000000 0.999664000000 -0.837884000000 0.000000000000 0.000000000000
0.000262000000 0.322030000000 0.063871000000 -0.176607000000 0.310913000000 -0.420781000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 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
147.879000000000 44.597300000000 15.812200000000 7.744110000000 2.437300000000 1.354180000000 0.724075000000 0.375740000000 0.188151000000 0.090220000000 0.040397000000 0.018100000000
0.000038000000 -0.000038000000 -0.000059000000 -0.000221000000 0.000432000000 0.000000000000 0.000000000000
0.000313000000 -0.000348000000 -0.000669000000 0.000124000000 -0.000825000000 0.000000000000 0.000000000000
0.002400000000 -0.002409000000 -0.003640000000 -0.010559000000 0.019571000000 0.000000000000 0.000000000000
-0.013486000000 0.014009000000 0.022951000000 0.048353000000 -0.086821000000 0.000000000000 0.000000000000
0.095310000000 -0.110130000000 -0.257008000000 -0.508580000000 1.393767000000 0.000000000000 0.000000000000
0.236157000000 -0.288892000000 -0.543873000000 -0.723089000000 -0.935297000000 0.000000000000 0.000000000000
0.312710000000 -0.313724000000 0.000320000000 1.479898000000 -1.582733000000 0.000000000000 0.000000000000
0.294820000000 0.016823000000 0.790755000000 0.085134000000 2.682609000000 0.000000000000 0.000000000000
0.206987000000 0.406112000000 0.269251000000 -1.167639000000 -1.320045000000 0.000000000000 0.000000000000
0.095894000000 0.450706000000 -0.564375000000 0.248551000000 -0.483641000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.241800000000 1.561400000000 0.574800000000 0.211600000000 0.077900000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.093800000000 0.834100000000 0.332200000000 0.128400000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.685400000000 0.602400000000 0.242200000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.279600000000 0.572500000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Tc:aug-cc-pwCVDZ-PP
Peterson's correlation consistent ECP basis set
4
0 1 2 3
6 6 5 3
10 9 8 3
132.656000000000 19.898600000000 12.445000000000 4.360500000000 1.855900000000 1.044360000000 0.474159000000 0.098736000000 0.036736000000 0.013700000000
0.000000000000 0.000686000000 0.000980000000 -0.000168000000 0.000000000000 0.000000000000
0.000000000000 -0.036001000000 -0.037841000000 0.009311000000 0.000000000000 0.000000000000
0.000000000000 0.156465000000 0.131767000000 -0.045535000000 0.000000000000 0.000000000000
0.000000000000 -0.599573000000 -0.483418000000 0.198602000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.835710000000 1.484854000000 -0.374974000000 0.000000000000 0.000000000000
0.000000000000 0.449055000000 -0.804731000000 -0.281760000000 0.000000000000 0.000000000000
0.000000000000 0.018378000000 -1.551191000000 0.632998000000 0.000000000000 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
12.178900000000 5.684840000000 1.825400000000 1.439830000000 0.678909000000 0.302515000000 0.107307000000 0.038177000000 0.013600000000
0.000000000000 0.027314000000 -0.011630000000 -0.007430000000 0.000000000000 0.000000000000
0.000000000000 -0.181403000000 0.085405000000 0.054137000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.490891000000 -0.284405000000 -0.176227000000 0.000000000000 0.000000000000
0.000000000000 0.496541000000 -0.357876000000 -0.209654000000 0.000000000000 0.000000000000
0.000000000000 0.153299000000 0.326033000000 0.073498000000 0.000000000000 0.000000000000
0.000000000000 0.006700000000 0.780124000000 0.607049000000 0.000000000000 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
5.760130000000 2.364240000000 1.706700000000 1.088710000000 0.474060000000 0.193607000000 0.071460000000 0.026400000000
0.000000000000 -0.016411000000 0.016991000000 0.000000000000 0.000000000000
0.000000000000 0.134407000000 -0.154896000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.354726000000 -0.428192000000 0.000000000000 0.000000000000
0.000000000000 0.404479000000 -0.178992000000 0.000000000000 0.000000000000
0.000000000000 0.278877000000 0.534656000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.299200000000 0.722800000000 0.227200000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Tc:aug-cc-pwCVTZ-PP
Peterson's correlation consistent ECP basis set
5
0 1 2 3 4
8 8 7 4 3
13 12 11 4 3
188.509000000000 17.808000000000 11.131000000000 6.954830000000 3.976400000000 1.631300000000 1.093810000000 1.021000000000 0.504008000000 0.127206000000 0.063047000000 0.028408000000 0.012800000000
0.000000000000 0.000000000000 0.000485000000 -0.000113000000 -0.000454000000 -0.000164000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.043066000000 0.002159000000 0.033963000000 0.014346000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.244146000000 -0.058631000000 -0.239696000000 -0.083741000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.193577000000 -0.034640000000 0.213334000000 0.078428000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.505976000000 0.523937000000 0.689739000000 0.156965000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.796275000000 -1.388053000000 -3.451331000000 -0.339795000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.498592000000 0.358263000000 3.875321000000 -0.323953000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.034146000000 2.295144000000 -1.668387000000 0.300536000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.012991000000 -1.592810000000 -0.524297000000 0.609450000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 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
21.644400000000 13.526800000000 5.542660000000 2.656000000000 1.506110000000 0.814800000000 0.761680000000 0.378366000000 0.163588000000 0.068941000000 0.028674000000 0.011900000000
0.000000000000 0.000000000000 -0.001559000000 -0.000039000000 0.000334000000 -0.000096000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.023709000000 -0.009734000000 -0.018124000000 -0.005722000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.180371000000 0.089794000000 0.165677000000 0.053944000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.435517000000 -0.270605000000 -0.648038000000 -0.158258000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.476454000000 -0.337853000000 -0.582574000000 -0.187364000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.212883000000 0.075571000000 1.439983000000 -0.044846000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.026643000000 0.685869000000 0.192173000000 0.342749000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000188000000 0.382393000000 -0.945965000000 0.565704000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 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
25.382800000000 6.985380000000 2.676900000000 2.412170000000 1.241770000000 0.834800000000 0.605242000000 0.282829000000 0.125560000000 0.051485000000 0.021100000000
0.000000000000 0.000000000000 0.001339000000 0.002239000000 -0.001356000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.013281000000 -0.023862000000 0.013714000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.108038000000 0.305379000000 -0.123467000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.286031000000 0.590427000000 -0.350163000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.360834000000 -0.318093000000 -0.287321000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.301193000000 -0.845575000000 0.219700000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.165001000000 0.342111000000 0.566883000000 0.000000000000 0.000000000000
0.000000000000 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
2.936300000000 1.101500000000 0.401500000000 0.146400000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.228100000000 0.871700000000 0.341000000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Tc:aug-cc-pwCVQZ-PP
Peterson's correlation consistent ECP basis set
6
0 1 2 3 4 5
9 9 8 5 4 3
17 14 13 5 4 3
7011.080000000000 1046.100000000000 230.493000000000 33.321800000000 20.810500000000 12.997500000000 4.830510000000 3.015520000000 1.926400000000 1.370620000000 1.205900000000 0.735836000000 0.378816000000 0.133549000000 0.060156000000 0.026923000000 0.012000000000
0.000000000000 0.000000000000 0.000009000000 -0.000006000000 -0.000011000000 -0.000003000000 -0.000016000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000067000000 -0.000054000000 -0.000076000000 -0.000022000000 -0.000113000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000274000000 -0.000139000000 -0.000331000000 -0.000093000000 -0.000511000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.008237000000 -0.007718000000 -0.007745000000 -0.002416000000 -0.010983000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.060633000000 0.047770000000 0.059024000000 0.018320000000 0.086493000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.177816000000 -0.130312000000 -0.188267000000 -0.056001000000 -0.286179000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.422062000000 0.369148000000 0.590284000000 0.151188000000 1.001238000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.269336000000 0.087394000000 0.333038000000 0.075597000000 0.722552000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.521843000000 -0.381958000000 -2.087436000000 -0.202739000000 -7.650327000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.638005000000 -1.431669000000 -0.650399000000 -0.324855000000 10.799397000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.216091000000 1.143650000000 3.708742000000 -0.182317000000 -5.591798000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.011212000000 1.551640000000 -2.670062000000 0.337297000000 -0.422691000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.000302000000 -1.070158000000 0.020022000000 0.637833000000 2.754501000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
165.031100000000 10.795700000000 6.748410000000 3.482490000000 2.807500000000 1.918530000000 1.171600000000 1.001880000000 0.522155000000 0.260882000000 0.121274000000 0.055402000000 0.024848000000 0.011100000000
0.000000000000 0.000000000000 0.000094000000 -0.000051000000 -0.000200000000 -0.000097000000 -0.000031000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.050964000000 -0.025443000000 -0.061773000000 -0.044859000000 -0.015501000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.150049000000 0.077871000000 0.188445000000 0.138642000000 0.047524000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.115353000000 0.057303000000 0.420931000000 0.130166000000 0.032645000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.297010000000 -0.177236000000 -1.623102000000 -0.434368000000 -0.102289000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.490187000000 -0.325738000000 -0.235656000000 -0.798223000000 -0.184074000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.326540000000 -0.188349000000 2.863084000000 0.541308000000 -0.134698000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.087384000000 0.369404000000 -2.032403000000 1.225484000000 0.103692000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.006065000000 0.627601000000 -0.438122000000 -0.591930000000 0.422428000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.001126000000 0.207884000000 0.962481000000 -0.592629000000 0.482808000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
71.181300000000 19.531900000000 7.237430000000 3.227100000000 2.611340000000 1.477340000000 1.144800000000 0.788005000000 0.404935000000 0.200364000000 0.094911000000 0.041945000000 0.018500000000
0.000000000000 0.000000000000 0.000175000000 0.000395000000 -0.000234000000 -0.000194000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.001722000000 0.002509000000 -0.005519000000 -0.001743000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.013832000000 -0.023028000000 0.044641000000 0.014403000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.074066000000 0.192811000000 -0.388232000000 -0.084459000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.218574000000 0.542520000000 -0.804254000000 -0.266903000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.313460000000 0.130349000000 1.159662000000 -0.336034000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.307909000000 -0.781188000000 0.537426000000 -0.031505000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.221354000000 -0.361346000000 -1.302487000000 0.387068000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.105110000000 0.551245000000 0.153728000000 0.474462000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.218600000000 1.793700000000 0.762700000000 0.270000000000 0.095600000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.567600000000 1.219600000000 0.482300000000 0.190700000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.427600000000 0.993200000000 0.406300000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Tc:aug-cc-pwCV5Z-PP
Peterson's correlation consistent ECP basis set
7
0 1 2 3 4 5 6
10 10 9 6 5 4 3
19 16 14 6 5 4 3
17206.099999999999 2992.560000000000 736.991000000000 205.553000000000 33.215100000000 20.674800000000 12.912800000000 4.929600000000 3.078000000000 1.433070000000 1.222800000000 0.785094000000 0.764500000000 0.410958000000 0.163552000000 0.083108000000 0.041291000000 0.020696000000 0.010400000000
0.000000000000 0.000000000000 0.000003000000 -0.000003000000 -0.000002000000 -0.000001000000 -0.000003000000 0.000025000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000017000000 -0.000023000000 -0.000011000000 -0.000006000000 -0.000040000000 -0.000124000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000080000000 -0.000072000000 -0.000059000000 -0.000025000000 -0.000051000000 0.001260000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000267000000 -0.000396000000 -0.000167000000 -0.000093000000 -0.000745000000 -0.003543000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.007869000000 -0.004610000000 -0.005612000000 -0.002274000000 0.001400000000 0.180367000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.060148000000 0.047937000000 0.040437000000 0.018076000000 0.036290000000 -0.758128000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.180093000000 -0.174436000000 -0.121838000000 -0.056630000000 -0.200482000000 1.399960000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.395958000000 0.493176000000 0.317545000000 0.141500000000 0.619512000000 -5.056017000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.304351000000 0.499397000000 0.176119000000 0.089677000000 1.230167000000 5.928685000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.463165000000 -1.945712000000 -0.417470000000 -0.182078000000 -7.058945000000 2.636138000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.650615000000 -1.177407000000 -1.236289000000 -0.311097000000 8.033541000000 -11.832441000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.261189000000 3.894977000000 0.621529000000 -0.219591000000 -1.715456000000 12.991862000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.019336000000 -1.429127000000 1.731995000000 0.166146000000 -4.700965000000 -10.525401000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.002260000000 -1.710360000000 -0.423958000000 0.521688000000 5.793286000000 6.931890000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.002379000000 1.274481000000 -0.766206000000 0.440625000000 -1.943341000000 -1.163726000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
110.094000000000 19.376300000000 12.103900000000 7.560590000000 4.488070000000 2.754700000000 1.809570000000 1.721800000000 1.036570000000 0.579218000000 0.313745000000 0.156850000000 0.079152000000 0.039936000000 0.019805000000 0.009800000000
0.000000000000 0.000000000000 0.000158000000 -0.000079000000 -0.001054000000 -0.000219000000 -0.000125000000 -0.000049000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.003582000000 0.001684000000 0.040201000000 0.003902000000 0.002088000000 0.001078000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.047304000000 -0.023772000000 -0.258629000000 -0.064330000000 -0.038547000000 -0.014659000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.090164000000 0.048111000000 0.555595000000 0.128310000000 0.078691000000 0.029809000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.134723000000 0.066693000000 0.122429000000 0.282021000000 0.137987000000 0.038817000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.269351000000 -0.165981000000 -4.167936000000 -1.376160000000 -0.391983000000 -0.096552000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.433391000000 -0.283298000000 6.065911000000 -0.510569000000 -0.735074000000 -0.157967000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.330741000000 -0.222208000000 -1.909360000000 2.745900000000 0.212676000000 -0.142792000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.123193000000 0.207444000000 -2.627647000000 -0.816742000000 1.269503000000 0.030524000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.016635000000 0.568403000000 3.044255000000 -1.658802000000 0.024508000000 0.288455000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.001288000000 0.367465000000 -0.837884000000 0.999664000000 -0.814124000000 0.445718000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000262000000 0.063871000000 -0.420781000000 0.310913000000 -0.176607000000 0.322030000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
147.879000000000 44.597300000000 15.812200000000 7.744110000000 3.796100000000 2.437300000000 1.472600000000 1.354180000000 0.724075000000 0.375740000000 0.188151000000 0.090220000000 0.040397000000 0.018100000000
0.000000000000 0.000000000000 0.000038000000 -0.000221000000 -0.000059000000 -0.000038000000 0.000432000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000313000000 0.000124000000 -0.000669000000 -0.000348000000 -0.000825000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.002400000000 -0.010559000000 -0.003640000000 -0.002409000000 0.019571000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.013486000000 0.048353000000 0.022951000000 0.014009000000 -0.086821000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.095310000000 -0.508580000000 -0.257008000000 -0.110130000000 1.393767000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.236157000000 -0.723089000000 -0.543873000000 -0.288892000000 -0.935297000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.312710000000 1.479898000000 0.000320000000 -0.313724000000 -1.582733000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.294820000000 0.085134000000 0.790755000000 0.016823000000 2.682609000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.206987000000 -1.167639000000 0.269251000000 0.406112000000 -1.320045000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.095894000000 0.248551000000 -0.564375000000 0.450706000000 -0.483641000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6.256000000000 2.822100000000 1.273100000000 0.574300000000 0.211600000000 0.077900000000
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
2.989600000000 1.603100000000 0.859600000000 0.332200000000 0.128400000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.914200000000 1.498000000000 0.602400000000 0.242200000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.860000000000 1.279600000000 0.572500000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Tc:def2-SV(P)
Weigend and Ahlrichs' Gaussian basis set
3
0 1 2
5 3 2
7 6 5
7.434402000000 5.551327000000 3.023086000000 1.064744399000 0.481278084970 0.098299016952 0.036659977936
-1.143628997300 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.875200055900 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.239528544310 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.449005000000 2.692737000000 0.944273706920 0.413481486190 0.154881523050 0.040300000000
-0.722775104340 0.000000000000 0.000000000000
0.764589628020 0.000000000000 0.000000000000
0.645332251710 0.000000000000 0.000000000000
0.271956688110 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
5.090626869900 2.015617851000 0.881138872400 0.364270948330 0.136784022970
-0.032176405405 0.000000000000
0.212808025360 0.000000000000
0.444033091750 0.000000000000
0.407969330850 0.000000000000
0.000000000000 1.000000000000
Tc:def2-SVP
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
5 3 2 1
7 6 5 1
7.434402000000 5.551327000000 3.023086000000 1.064744399000 0.481278084970 0.098299016952 0.036659977936
-1.143628997300 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.875200055900 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.239528544310 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.449005000000 2.692737000000 0.944273706920 0.413481486190 0.154881523050 0.040300000000
-0.722775104340 0.000000000000 0.000000000000
0.764589628020 0.000000000000 0.000000000000
0.645332251710 0.000000000000 0.000000000000
0.271956688110 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
5.090626869900 2.015617851000 0.881138872400 0.364270948330 0.136784022970
-0.032176405405 0.000000000000
0.212808025360 0.000000000000
0.444033091750 0.000000000000
0.407969330850 0.000000000000
0.000000000000 1.000000000000
0.790850000000
1.000000000000
Tc:def2-TZVP
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
6 4 3 1
7 7 5 1
15.000000000000 12.910581694000 4.449332115800 1.054840945100 0.479096772460 0.099124162989 0.036882799789
-0.199454089410 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.336899222450 0.000000000000 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
10.027138011000 5.846341974100 1.496834549100 0.729346320660 0.339135588790 0.110000000000 0.035000000000
0.061481602710 0.000000000000 0.000000000000 0.000000000000
-0.236007293850 0.000000000000 0.000000000000 0.000000000000
0.477464839950 0.000000000000 0.000000000000 0.000000000000
0.507315434960 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
5.090626869900 2.015617851000 0.881138872400 0.364270948330 0.136784022970
-0.032176405405 0.000000000000 0.000000000000
0.212808025360 0.000000000000 0.000000000000
0.444033091750 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.790850000000
1.000000000000
Tc:def2-TZVPP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
6 4 3 2 1
7 7 5 2 1
15.000000000000 12.910581694000 4.449332115800 1.054840945100 0.479096772460 0.099124162989 0.036882799789
-0.199454089410 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.336899222450 0.000000000000 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
10.027138011000 5.846341974100 1.496834549100 0.729346320660 0.339135588790 0.110000000000 0.035000000000
0.061481602710 0.000000000000 0.000000000000 0.000000000000
-0.236007293850 0.000000000000 0.000000000000 0.000000000000
0.477464839950 0.000000000000 0.000000000000 0.000000000000
0.507315434960 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
5.090626869900 2.015617851000 0.881138872400 0.364270948330 0.136784022970
-0.032176405405 0.000000000000 0.000000000000
0.212808025360 0.000000000000 0.000000000000
0.444033091750 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.440640000000 0.408750000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
0.825100000000
1.000000000000
Tc:def2-QZVP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
7 5 4 3 1
9 8 7 3 1
15.000000000000 13.500000000000 7.102252512200 4.441599503800 1.066012784800 0.485685596730 0.126549654510 0.066997954399 0.029822104753
-0.313492216390 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.447936187990 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.020051786822 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
10.298029968000 5.721379278500 1.629606399100 0.975286232300 0.539976256900 0.251720253790 0.064000000000 0.021500000000
0.083867175334 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.362469578840 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.536494638220 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.618372124800 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
18.617708386000 5.836980397200 2.092197943800 1.014811720100 0.461542154970 0.197950710410 0.078619872304
0.002705678361 0.000000000000 0.000000000000 0.000000000000
-0.035968645824 0.000000000000 0.000000000000 0.000000000000
0.213348515370 0.000000000000 0.000000000000 0.000000000000
0.457139719960 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.372400000000 0.790800000000 0.263600000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.825100000000
1.000000000000
Tc:def2-QZVPP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
7 5 4 4 2
9 8 7 4 2
15.000000000000 13.500000000000 7.102252512200 4.441599503800 1.066012784800 0.485685596730 0.126549654510 0.066997954399 0.029822104753
-0.313492216390 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.447936187990 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.020051786822 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
10.298029968000 5.721379278500 1.629606399100 0.975286232300 0.539976256900 0.251720253790 0.064000000000 0.021500000000
0.083867175334 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.362469578840 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.536494638220 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.618372124800 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
18.617708386000 5.836980397200 2.092197943800 1.014811720100 0.461542154970 0.197950710410 0.078619872304
0.002705678361 0.000000000000 0.000000000000 0.000000000000
-0.035968645824 0.000000000000 0.000000000000 0.000000000000
0.213348515370 0.000000000000 0.000000000000 0.000000000000
0.457139719960 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.372400000000 0.790800000000 0.263600000000 0.087870000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.360650000000 0.414530000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Tc:def2-SVPD
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
5 4 2 1
7 7 5 1
7.434402000000 5.551327000000 3.023086000000 1.064744399000 0.481278084970 0.098299016952 0.036659977936
-1.143628997300 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.875200055900 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.239528544310 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.449005000000 2.692737000000 0.944273706920 0.413481486190 0.154881523050 0.040300000000 0.079000000000
-0.722775104340 0.000000000000 0.000000000000 0.000000000000
0.764589628020 0.000000000000 0.000000000000 0.000000000000
0.645332251710 0.000000000000 0.000000000000 0.000000000000
0.271956688110 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
5.090626869900 2.015617851000 0.881138872400 0.364270948330 0.136784022970
-0.032176405405 0.000000000000
0.212808025360 0.000000000000
0.444033091750 0.000000000000
0.407969330850 0.000000000000
0.000000000000 1.000000000000
0.790850000000
1.000000000000
Tc:def2-TZVPD
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
6 4 3 1
7 7 5 1
15.000000000000 12.910581694000 4.449332115800 1.054840945100 0.479096772460 0.099124162989 0.036882799789
-0.199454089410 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.336899222450 0.000000000000 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
10.027138011000 5.846341974100 1.496834549100 0.729346320660 0.339135588790 0.110000000000 0.035000000000
0.061481602710 0.000000000000 0.000000000000 0.000000000000
-0.236007293850 0.000000000000 0.000000000000 0.000000000000
0.477464839950 0.000000000000 0.000000000000 0.000000000000
0.507315434960 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
5.090626869900 2.015617851000 0.881138872400 0.364270948330 0.136784022970
-0.032176405405 0.000000000000 0.000000000000
0.212808025360 0.000000000000 0.000000000000
0.444033091750 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.790850000000
1.000000000000
Tc:def2-TZVPPD
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
6 4 3 2 1
7 7 5 2 1
15.000000000000 12.910581694000 4.449332115800 1.054840945100 0.479096772460 0.099124162989 0.036882799789
-0.199454089410 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.336899222450 0.000000000000 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
10.027138011000 5.846341974100 1.496834549100 0.729346320660 0.339135588790 0.110000000000 0.035000000000
0.061481602710 0.000000000000 0.000000000000 0.000000000000
-0.236007293850 0.000000000000 0.000000000000 0.000000000000
0.477464839950 0.000000000000 0.000000000000 0.000000000000
0.507315434960 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
5.090626869900 2.015617851000 0.881138872400 0.364270948330 0.136784022970
-0.032176405405 0.000000000000 0.000000000000
0.212808025360 0.000000000000 0.000000000000
0.444033091750 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.440640000000 0.408750000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
0.825100000000
1.000000000000
Tc:def2-QZVPD
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
7 5 4 3 1
9 8 7 3 1
15.000000000000 13.500000000000 7.102252512200 4.441599503800 1.066012784800 0.485685596730 0.126549654510 0.066997954399 0.029822104753
-0.313492216390 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.447936187990 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.020051786822 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
10.298029968000 5.721379278500 1.629606399100 0.975286232300 0.539976256900 0.251720253790 0.064000000000 0.021500000000
0.083867175334 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.362469578840 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.536494638220 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.618372124800 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
18.617708386000 5.836980397200 2.092197943800 1.014811720100 0.461542154970 0.197950710410 0.078619872304
0.002705678361 0.000000000000 0.000000000000 0.000000000000
-0.035968645824 0.000000000000 0.000000000000 0.000000000000
0.213348515370 0.000000000000 0.000000000000 0.000000000000
0.457139719960 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.372400000000 0.790800000000 0.263600000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.825100000000
1.000000000000
Tc:def2-QZVPPD
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
7 5 4 4 2
9 8 7 4 2
15.000000000000 13.500000000000 7.102252512200 4.441599503800 1.066012784800 0.485685596730 0.126549654510 0.066997954399 0.029822104753
-0.313492216390 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.447936187990 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.020051786822 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
10.298029968000 5.721379278500 1.629606399100 0.975286232300 0.539976256900 0.251720253790 0.064000000000 0.021500000000
0.083867175334 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.362469578840 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.536494638220 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.618372124800 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
18.617708386000 5.836980397200 2.092197943800 1.014811720100 0.461542154970 0.197950710410 0.078619872304
0.002705678361 0.000000000000 0.000000000000 0.000000000000
-0.035968645824 0.000000000000 0.000000000000 0.000000000000
0.213348515370 0.000000000000 0.000000000000 0.000000000000
0.457139719960 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.372400000000 0.790800000000 0.263600000000 0.087870000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.360650000000 0.414530000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Tc:LANL2DZ
Hay and Wadt's LANL2DZ Gaussian basis set
3
0 1 2
3 3 2
5 6 4
2.342000000000 1.634000000000 0.509400000000 0.170600000000 0.043500000000
-1.491178200000 1.352399700000 0.000000000000
1.674904300000 -1.621630100000 0.000000000000
0.657300600000 -1.146377000000 0.000000000000
0.000000000000 0.985919000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
5.278000000000 1.156000000000 0.430200000000 0.476700000000 0.089500000000 0.024600000000
-0.099541900000 0.000000000000 0.000000000000
0.708154400000 0.000000000000 0.000000000000
0.397357100000 0.000000000000 0.000000000000
0.000000000000 -0.097312700000 0.000000000000
0.000000000000 1.040486200000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
4.632000000000 1.279000000000 0.442500000000 0.136400000000
0.026872400000 0.000000000000
0.507308900000 0.000000000000
0.591138100000 0.000000000000
0.000000000000 1.000000000000
Tc:aug-cc-pwCVDZ-PP-RI
Hattig's auxiliary basis set
6
0 1 2 3 4 5
10 10 9 9 7 4
10 10 9 9 7 4
9.801710000000 7.038090000000 4.858500000000 2.392550000000 1.476360000000 0.689254000000 0.346028000000 0.161717000000 0.081161000000 0.042714000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.188350000000 5.821460000000 3.518520000000 2.398240000000 1.148780000000 0.786258000000 0.416442000000 0.198777000000 0.089381000000 0.041648000000
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
9.515270000000 4.868470000000 2.954400000000 1.539430000000 1.013050000000 0.544519000000 0.266107000000 0.120672000000 0.065327000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
10.149900000000 6.320880000000 3.027630000000 1.776700000000 1.150000000000 0.618731000000 0.280052000000 0.124055000000 0.056197000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
9.659420000000 3.309870000000 1.756260000000 1.119260000000 0.452692000000 0.188417000000 0.088550000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.560950000000 2.134680000000 1.114990000000 0.454476000000
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
Tc:aug-cc-pwCVTZ-PP-RI
Hattig's auxiliary basis set
7
0 1 2 3 4 5 6
12 12 11 10 9 6 4
12 12 11 10 9 6 4
49.122100000000 10.664400000000 6.257510000000 4.614350000000 3.482550000000 1.405160000000 0.877961000000 0.568316000000 0.237576000000 0.114922000000 0.066508000000 0.038986000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
19.873100000000 8.738890000000 5.182920000000 3.509280000000 2.084560000000 1.140580000000 0.709794000000 0.449627000000 0.228777000000 0.115288000000 0.061496000000 0.033245000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.432260000000 6.129670000000 4.196050000000 2.259090000000 1.531500000000 0.945503000000 0.604193000000 0.318717000000 0.181654000000 0.089649000000 0.049050000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6.986680000000 5.184370000000 3.666680000000 2.083530000000 1.381870000000 0.741907000000 0.471830000000 0.195520000000 0.090716000000 0.042530000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.225880000000 4.003190000000 2.900760000000 1.728350000000 1.101170000000 0.716785000000 0.339844000000 0.214825000000 0.136669000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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
5.280540000000 3.649180000000 1.940530000000 1.290220000000 0.686207000000 0.334394000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.487400000000 2.270830000000 1.289930000000 0.618518000000
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
Tc:aug-cc-pwCVQZ-PP-RI
Hattig's auxiliary basis set
8
0 1 2 3 4 5 6 7
13 13 12 11 11 8 6 4
13 13 12 11 11 8 6 4
33.299700000000 10.098100000000 6.955770000000 4.801920000000 3.731210000000 2.445160000000 1.084660000000 0.689275000000 0.482734000000 0.222995000000 0.116821000000 0.063801000000 0.037115000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
37.364300000000 9.058980000000 4.751200000000 3.937560000000 3.124320000000 1.684870000000 0.903693000000 0.706907000000 0.320983000000 0.199946000000 0.101767000000 0.060896000000 0.038616000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
13.328900000000 6.914480000000 5.102750000000 3.738460000000 2.291910000000 1.247660000000 0.850816000000 0.536924000000 0.281784000000 0.154987000000 0.082922000000 0.046581000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
7.872890000000 6.140670000000 4.720860000000 2.610010000000 1.753360000000 1.055330000000 0.605576000000 0.355283000000 0.162559000000 0.076354000000 0.038221000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
10.231900000000 7.500000000000 5.308260000000 3.365740000000 2.546960000000 1.446960000000 0.962137000000 0.555028000000 0.265740000000 0.113489000000 0.051223000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.812910000000 5.409880000000 3.430620000000 2.104310000000 1.268170000000 0.795474000000 0.457729000000 0.255819000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
7.090460000000 3.534200000000 2.577880000000 1.574740000000 0.804768000000 0.394290000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.646090000000 2.721100000000 1.442640000000 0.698529000000
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
Tc:aug-cc-pwCV5Z-PP-RI
Hattig's auxiliary basis set
9
0 1 2 3 4 5 6 7 8
14 14 13 12 12 9 7 5 4
14 14 13 12 12 9 7 5 4
52.754000000000 13.970400000000 8.260150000000 5.128800000000 3.543360000000 2.457790000000 1.464300000000 0.860501000000 0.487714000000 0.260276000000 0.140478000000 0.085559000000 0.053748000000 0.033780000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
37.079700000000 9.916770000000 7.324560000000 5.444230000000 3.965960000000 2.194740000000 1.485140000000 1.005830000000 0.592884000000 0.288176000000 0.164747000000 0.095348000000 0.055313000000 0.038175000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
19.608800000000 8.520200000000 6.528770000000 4.666050000000 2.887470000000 1.764980000000 1.089590000000 0.787696000000 0.451402000000 0.246418000000 0.136714000000 0.072967000000 0.052262000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
9.255900000000 6.930560000000 5.162140000000 3.207780000000 2.124570000000 1.344480000000 0.794556000000 0.514584000000 0.286176000000 0.148822000000 0.072339000000 0.035216000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
12.017200000000 7.656570000000 4.851400000000 3.349390000000 2.171170000000 1.527380000000 0.857045000000 0.586346000000 0.349584000000 0.183610000000 0.105186000000 0.060255000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
15.938700000000 7.476390000000 4.218640000000 2.914160000000 1.984740000000 1.257420000000 0.742107000000 0.425469000000 0.192368000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6.330050000000 4.252320000000 2.511500000000 1.792260000000 1.178830000000 0.588726000000 0.267255000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.785280000000 3.156910000000 1.906220000000 0.954095000000 0.428485000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.456700000000 3.541750000000 1.792820000000 0.868484000000
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
Tc:def2-SV(P)-RI
Weigend's auxiliary basis set
5
0 1 2 3 4
8 6 6 3 2
8 7 6 5 4
6.322823380000 4.240568520000 2.361035040000 1.125151650000 0.634436770000 0.374166750000 0.169152370000 0.078207600000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
15.542640470000 3.869470140000 2.164015730000 1.454806220000 0.494401400000 0.235899990000 0.088436830000
-0.097195130000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.500061220000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.448290840000 2.587536180000 1.556411470000 0.661621520000 0.428724700000 0.196911020000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.944498020000 2.453117680000 1.285759550000 0.518526140000 0.225951510000
-0.321693690000 0.000000000000 0.000000000000
1.904512520000 0.000000000000 0.000000000000
0.587653460000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
3.017696120000 2.011797400000 0.665237520000 0.366211540000
0.568902540000 0.000000000000
2.015343240000 0.000000000000
0.199719280000 0.000000000000
0.000000000000 1.000000000000
Tc:def2-SVP-RI
Weigend's auxiliary basis set
6
0 1 2 3 4 5
8 7 6 5 3 1
8 7 6 5 3 1
6.599860000000 3.465160000000 2.430250000000 1.491420000000 0.641543000000 0.376740000000 0.168778000000 0.069004500000
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
8.561740000000 3.992860000000 2.684360000000 1.197360000000 0.422136000000 0.220186000000 0.081400400000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.025910000000 2.381210000000 1.510060000000 0.691081000000 0.363615000000 0.181701000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.964490000000 2.536060000000 1.186630000000 0.457920000000 0.185763000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.442600000000 1.442020000000 0.326608000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.469840000000
1.000000000000
Tc:def2-TZVP-RI
Weigend's auxiliary basis set
6
0 1 2 3 4 5
8 7 6 5 3 2
8 7 6 5 3 2
6.324480000000 3.193000000000 2.254470000000 1.436140000000 0.641509000000 0.374866000000 0.168796000000 0.068706700000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6.420210000000 4.711670000000 2.470670000000 0.916071000000 0.654713000000 0.223653000000 0.135410000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.992050000000 2.669690000000 1.892900000000 0.631518000000 0.434635000000 0.184361000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.221300000000 2.560040000000 1.025060000000 0.524986000000 0.269121000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.086960000000 0.944112000000 0.329807000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.871730000000 1.056240000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Tc:def2-TZVPP-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
8 7 6 5 4 3 1
8 7 6 5 4 3 1
7.594950000000 3.748380000000 2.234780000000 1.332380000000 0.656193000000 0.423800000000 0.183192000000 0.072630700000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
7.112270000000 4.738800000000 1.928420000000 1.431630000000 0.485153000000 0.253284000000 0.132616000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.027000000000 2.603000000000 1.729590000000 0.580013000000 0.445973000000 0.185014000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.081730000000 2.533430000000 1.145270000000 0.539718000000 0.288635000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.379380000000 1.358430000000 0.638989000000 0.332237000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.735440000000 1.600680000000 0.711286000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.446390000000
1.000000000000
Tc:def2-QZVPP-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
10 9 8 7 5 5 2
10 9 8 7 5 5 2
4.491930000000 3.660410000000 2.796060000000 1.790700000000 0.891298000000 0.437471000000 0.243109000000 0.105689000000 0.059336200000 0.032139400000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6.978130000000 4.570820000000 2.860320000000 1.457600000000 0.830117000000 0.372345000000 0.189139000000 0.101851000000 0.037018700000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.941320000000 3.678920000000 2.562750000000 1.426540000000 0.716370000000 0.348849000000 0.232612000000 0.119734000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.260960000000 3.441470000000 1.803100000000 1.010460000000 0.516870000000 0.270571000000 0.129391000000
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
2.957400000000 1.960620000000 0.870634000000 0.484084000000 0.202836000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.629790000000 2.309370000000 1.204460000000 0.545167000000 0.227265000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.226460000000 0.766407000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Tc:def2-SVPD-RI
Weigend's auxiliary basis set
6
0 1 2 3 4 5
9 8 7 5 3 1
9 8 7 5 3 1
6.599860000000 3.465160000000 2.430250000000 1.491420000000 0.641543000000 0.376740000000 0.168778000000 0.069004500000 0.025988800000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.561740000000 3.992860000000 2.684360000000 1.197360000000 0.422136000000 0.220186000000 0.081400400000 0.046817400000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.025910000000 2.381210000000 1.510060000000 0.691081000000 0.363615000000 0.181701000000 0.092613200000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.964490000000 2.536060000000 1.186630000000 0.457920000000 0.185763000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.442600000000 1.442020000000 0.326608000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.469840000000
1.000000000000
Tc:def2-TZVPD-RI
Weigend's auxiliary basis set
6
0 1 2 3 4 5
8 7 6 5 3 2
8 7 6 5 3 2
6.324480000000 3.193000000000 2.254470000000 1.436140000000 0.641509000000 0.374866000000 0.168796000000 0.068706700000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6.420210000000 4.711670000000 2.470670000000 0.916071000000 0.654713000000 0.223653000000 0.135410000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.992050000000 2.669690000000 1.892900000000 0.631518000000 0.434635000000 0.184361000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.221300000000 2.560040000000 1.025060000000 0.524986000000 0.269121000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.086960000000 0.944112000000 0.329807000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.871730000000 1.056240000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Tc:def2-TZVPPD-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
8 7 6 5 4 3 1
8 7 6 5 4 3 1
7.594950000000 3.748380000000 2.234780000000 1.332380000000 0.656193000000 0.423800000000 0.183192000000 0.072630700000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
7.112270000000 4.738800000000 1.928420000000 1.431630000000 0.485153000000 0.253284000000 0.132616000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.027000000000 2.603000000000 1.729590000000 0.580013000000 0.445973000000 0.185014000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.081730000000 2.533430000000 1.145270000000 0.539718000000 0.288635000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.379380000000 1.358430000000 0.638989000000 0.332237000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.735440000000 1.600680000000 0.711286000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.446390000000
1.000000000000
Tc:def2-QZVPPD-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
10 9 8 7 5 5 2
10 9 8 7 5 5 2
4.491930000000 3.660410000000 2.796060000000 1.790700000000 0.891298000000 0.437471000000 0.243109000000 0.105689000000 0.059336200000 0.032139400000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6.978130000000 4.570820000000 2.860320000000 1.457600000000 0.830117000000 0.372345000000 0.189139000000 0.101851000000 0.037018700000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.941320000000 3.678920000000 2.562750000000 1.426540000000 0.716370000000 0.348849000000 0.232612000000 0.119734000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.260960000000 3.441470000000 1.803100000000 1.010460000000 0.516870000000 0.270571000000 0.129391000000
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
2.957400000000 1.960620000000 0.870634000000 0.484084000000 0.202836000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.629790000000 2.309370000000 1.204460000000 0.545167000000 0.227265000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.226460000000 0.766407000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Tc:def2-QZVPP-RI-JK
Weigend's Coulomb/exchange fitting basis set
7
0 1 2 3 4 5 6
11 10 9 8 6 3 2
13 12 10 9 6 3 2
20.080465100000 12.391070100000 7.646304300000 4.718471400000 2.911771700000 1.796879000000 1.108881400000 0.684314000000 0.422307800000 0.260618500000 0.160836000000 0.100249900000 0.050553700000
0.007882427900 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.123204875600 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.992349951400 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 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
55.162513600000 30.635391700000 17.014176200000 9.449431100000 5.248156600000 2.914831500000 1.618917900000 0.899166300000 0.499411100000 0.277382100000 0.154063600000 0.085570100000
0.007829529100 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.028438549600 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.131318315800 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.990901330800 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 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
10.031509200000 5.571218500000 3.094161900000 1.718476600000 0.954444600000 0.530106600000 0.294428500000 0.163530800000 0.090828200000 0.050447900000
0.140194877300 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.990123929800 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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
20.799549200000 10.501418000000 5.302141700000 2.677088000000 1.351700400000 0.682501000000 0.362190100000 0.182879600000 0.097051300000
0.108011595500 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.326647822100 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.938954043400 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.892853100000 2.697783400000 1.235090700000 0.565454900000 0.258881800000 0.118524000000
0.032874487600 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.721734462500 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.691388916400 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.689689534200 1.663777295800 0.750240600000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.775199243300 0.959624500000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Tc:def2-QZVPP-RI-J
Weigend's Coulomb fitting basis set
5
0 1 2 3 4
8 5 5 2 3
11 5 5 3 3
24.804717700000 14.884289000000 8.755463900000 5.253793100000 3.075395500000 1.782101200000 1.048294800000 0.583753300000 0.225393700000 0.125512700000 0.073831000000
0.000000000000 0.196966200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -1.394349600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 4.480253400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -4.967105000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-1.842646500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 3.422597800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.278500800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.693285400000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.189479000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.002003400000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.009841400000
7.666470800000 2.659166000000 0.909394900000 0.308400600000 0.104296500000
0.011405800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.035332100000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.050835900000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 -0.005981400000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.002317400000
5.654282700000 2.398794700000 1.000967300000 0.413608900000 0.170353100000
-0.007714200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.011936600000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.029346600000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.009386500000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.001969300000
1.586651700000 0.628616400000 0.261856400000
-0.018605500000 0.000000000000
0.012526700000 0.000000000000
0.000000000000 -0.000132700000
2.228069400000 0.812659800000 0.295154600000
0.033168200000 0.000000000000 0.000000000000
0.000000000000 0.012978100000 0.000000000000
0.000000000000 0.000000000000 0.002968600000
Tc:def2-ECP-28
Stuttgart-Koeln ECP
*
NCORE = 28 LMAX =3
f-ul
-26.562447470000 2 10.400000000000
-4.585680540000 2 5.200000000000
s-ul
195.159165910000 2 10.422346200000
28.092603330000 2 5.036516000000
26.562447470000 2 10.400000000000
4.585680540000 2 5.200000000000
p-ul
135.284566220000 2 8.950449400000
21.806504300000 2 4.854439400000
26.562447470000 2 10.400000000000
4.585680540000 2 5.200000000000
d-ul
54.329729420000 2 6.945696800000
11.155067950000 2 3.970584900000
26.562447470000 2 10.400000000000
4.585680540000 2 5.200000000000
*
Tc:LANL2DZ-ECP-28
LANL2DZ ECP
*
NCORE = 28 LMAX =3
f-ul
-0.049211500000 0 501.119940900000
-20.146730800000 1 150.246884400000
-105.579288000000 2 46.709791400000
-41.590119700000 2 13.933901400000
-3.941511100000 2 4.985406900000
s-ul
2.822237400000 0 108.177599500000
46.733070800000 1 23.659435100000
90.531865700000 2 5.781497700000
p-ul
4.939078200000 0 63.306201400000
26.922963100000 1 23.693553200000
128.507979600000 2 25.052585400000
63.749025000000 2 5.071708400000
d-ul
2.992190200000 0 102.772139700000
28.182137900000 1 45.671375600000
89.054846500000 2 48.261199700000
121.189432500000 2 15.708911500000
25.586697300000 2 3.948457600000
*
Tc:MCDHF-ECP-28
Stuttgart-Koeln MCDFH ECP
*
NCORE = 28 LMAX =4
g-ul
0.000000000000 2 1.000000000000
s-ul
195.091303000000 2 10.799369000000
27.340413000000 2 4.707257000000
p-ul
45.060812000000 2 9.826699000000
90.117295000000 2 9.561115000000
7.070517000000 2 4.378578000000
14.048019000000 2 4.190907000000
d-ul
21.657755000000 2 8.336045000000
32.471959000000 2 8.244533000000
3.789525000000 2 3.093707000000
6.053430000000 2 3.168722000000
f-ul
-7.995623000000 2 7.040940000000
-10.745696000000 2 7.069473000000
*
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