lukasplevac/easyconfigs-it4i
1
0
Fork 0
mirror of https://code.it4i.cz/sccs/easyconfigs-it4i.git synced 2025-04-08 07:52:11 +01:00
Code Issues Packages Projects Releases Wiki Activity
easyconfigs-it4i/m/MRCC/mrcc_files/2/BASIS/Pd
Lukas Krupcik eb1ea94130 merge master
2024-07-25 10:27:17 +02:00

2500 lines
280 KiB
Plaintext
Executable File
Raw Blame History

Pd:cc-pVDZ-PP
Peterson's correlation consistent ECP basis set
4
0 1 2 3
4 4 3 1
8 7 6 1
208.123000000000 22.852500000000 14.298600000000 5.488010000000 1.325320000000 0.598957000000 0.120983000000 0.043459000000
0.000727000000 -0.000189000000 0.000800000000 0.000000000000
-0.040928000000 0.009818000000 -0.041781000000 0.000000000000
0.192285000000 -0.052876000000 0.159362000000 0.000000000000
-0.650104000000 0.203511000000 -0.523123000000 0.000000000000
0.856553000000 -0.363935000000 1.491773000000 0.000000000000
0.443876000000 -0.258219000000 -0.791696000000 0.000000000000
0.017850000000 0.570432000000 -1.517254000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
14.050900000000 7.139060000000 1.830070000000 0.858335000000 0.377275000000 0.125696000000 0.042659000000
0.037997000000 -0.009313000000 -0.018603000000 0.000000000000
-0.204077000000 0.054671000000 0.109865000000 0.000000000000
0.513768000000 -0.166161000000 -0.366400000000 0.000000000000
0.494240000000 -0.185842000000 -0.347316000000 0.000000000000
0.140291000000 0.073161000000 0.482034000000 0.000000000000
0.005157000000 0.586172000000 0.709640000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
19.253900000000 10.584800000000 2.456190000000 1.035290000000 0.402008000000 0.137057000000
0.006624000000 -0.007839000000 0.000000000000
-0.018411000000 0.021838000000 0.000000000000
0.263396000000 -0.369155000000 0.000000000000
0.452448000000 -0.430959000000 0.000000000000
0.375833000000 0.374965000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.148400000000
1.000000000000
Pd: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
247.202000000000 20.793700000000 13.001900000000 8.125620000000 4.888420000000 1.392060000000 0.638382000000 0.158828000000 0.075793000000 0.033184000000
0.000624000000 -0.000200000000 -0.000289000000 -0.000806000000 0.000000000000
-0.050198000000 0.015867000000 0.010049000000 0.067335000000 0.000000000000
0.296242000000 -0.096870000000 -0.105542000000 -0.397207000000 0.000000000000
-0.264015000000 0.101716000000 0.025518000000 0.458351000000 0.000000000000
-0.503715000000 0.143491000000 0.519683000000 0.557095000000 0.000000000000
0.817743000000 -0.329174000000 -1.417422000000 -3.235207000000 0.000000000000
0.496409000000 -0.299631000000 0.431803000000 3.434450000000 0.000000000000
0.032318000000 0.259150000000 1.856346000000 -0.847843000000 0.000000000000
-0.011023000000 0.599329000000 -0.962634000000 -1.377241000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
24.882400000000 15.551700000000 6.923430000000 1.922860000000 0.971191000000 0.476919000000 0.193866000000 0.078792000000 0.031653000000
-0.001722000000 -0.000212000000 0.000258000000 0.003432000000 0.000000000000
0.031534000000 -0.006801000000 -0.016521000000 -0.034536000000 0.000000000000
-0.201062000000 0.053988000000 0.120805000000 0.216250000000 0.000000000000
0.452572000000 -0.148671000000 -0.364275000000 -0.869285000000 0.000000000000
0.479947000000 -0.166744000000 -0.380740000000 -0.296299000000 0.000000000000
0.204045000000 -0.034726000000 0.289059000000 1.522696000000 0.000000000000
0.022517000000 0.326321000000 0.682454000000 -0.263822000000 0.000000000000
-0.000614000000 0.559976000000 0.258514000000 -0.759892000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
29.020400000000 6.411490000000 3.997360000000 1.887420000000 0.913208000000 0.425675000000 0.187727000000 0.075790000000
0.002172000000 -0.002352000000 0.003761000000 0.000000000000
-0.047958000000 0.054414000000 -0.096763000000 0.000000000000
0.103343000000 -0.126309000000 0.251919000000 0.000000000000
0.293210000000 -0.397795000000 0.703930000000 0.000000000000
0.371687000000 -0.296433000000 -0.328375000000 0.000000000000
0.306456000000 0.261717000000 -0.838100000000 0.000000000000
0.166629000000 0.537689000000 0.324253000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.232900000000 0.638400000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
1.372100000000
1.000000000000
Pd: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
7844.890000000000 1169.530000000000 259.644000000000 39.221100000000 24.493400000000 15.296900000000 6.038960000000 3.762280000000 1.807100000000 0.974305000000 0.497203000000 0.162020000000 0.071460000000 0.031310000000
0.000015000000 -0.000005000000 -0.000010000000 0.000002000000 -0.000015000000 0.000000000000
0.000107000000 -0.000033000000 -0.000084000000 0.000015000000 -0.000109000000 0.000000000000
0.000412000000 -0.000135000000 -0.000230000000 0.000058000000 -0.000408000000 0.000000000000
0.009864000000 -0.002716000000 -0.009074000000 0.001290000000 -0.009078000000 0.000000000000
-0.071922000000 0.020517000000 0.056339000000 -0.009202000000 0.064803000000 0.000000000000
0.212833000000 -0.063689000000 -0.156313000000 0.028370000000 -0.199913000000 0.000000000000
-0.454220000000 0.155118000000 0.394367000000 -0.069003000000 0.486689000000 0.000000000000
-0.299621000000 0.080052000000 0.118491000000 -0.071759000000 0.506148000000 0.000000000000
0.504612000000 -0.186570000000 -0.391114000000 0.254958000000 -1.805852000000 0.000000000000
0.662277000000 -0.305499000000 -1.396798000000 0.145193000000 -1.005889000000 0.000000000000
0.240681000000 -0.181309000000 1.101124000000 -0.464757000000 3.267016000000 0.000000000000
0.012646000000 0.303974000000 1.312854000000 0.224437000000 -1.576419000000 0.000000000000
-0.000472000000 0.617764000000 -0.657630000000 0.129175000000 -0.938299000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
98.824300000000 27.985900000000 17.487300000000 6.786380000000 1.987880000000 1.065730000000 0.583829000000 0.314636000000 0.135737000000 0.060277000000 0.026540000000
0.000318000000 -0.000051000000 -0.000166000000 0.000419000000 0.000009000000 0.000000000000
-0.004671000000 0.000678000000 0.002266000000 -0.005884000000 -0.001324000000 0.000000000000
0.029241000000 -0.006679000000 -0.016118000000 0.031700000000 0.037204000000 0.000000000000
-0.199282000000 0.054415000000 0.121953000000 -0.224040000000 -0.388246000000 0.000000000000
0.410139000000 -0.138202000000 -0.340379000000 0.865696000000 2.638413000000 0.000000000000
0.447144000000 -0.141000000000 -0.328181000000 0.345280000000 -2.745729000000 0.000000000000
0.236221000000 -0.101071000000 -0.033052000000 -0.993172000000 -0.638402000000 0.000000000000
0.062469000000 0.126593000000 0.548795000000 -0.677552000000 1.904561000000 0.000000000000
0.006075000000 0.421120000000 0.533222000000 0.773184000000 -0.195481000000 0.000000000000
-0.000085000000 0.472237000000 0.099434000000 0.376531000000 -0.679862000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
78.340600000000 21.023500000000 7.518730000000 3.689330000000 2.019340000000 1.071760000000 0.551662000000 0.273933000000 0.130111000000 0.057473000000
0.000319000000 -0.000390000000 -0.000571000000 -0.000413000000 0.000000000000
0.003169000000 -0.003360000000 -0.004965000000 -0.011647000000 0.000000000000
-0.030128000000 0.033456000000 0.052314000000 0.125553000000 0.000000000000
0.082058000000 -0.099888000000 -0.175726000000 -0.568492000000 0.000000000000
0.240533000000 -0.334454000000 -0.655830000000 -0.797255000000 0.000000000000
0.325414000000 -0.326736000000 0.029719000000 1.570227000000 0.000000000000
0.300948000000 0.066370000000 0.832161000000 0.016498000000 0.000000000000
0.205009000000 0.420514000000 0.196024000000 -1.163136000000 0.000000000000
0.092177000000 0.417007000000 -0.565197000000 0.322712000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.719600000000 1.253700000000 0.422600000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.223000000000 0.780100000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
1.530700000000
1.000000000000
Pd: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
23205.799999999999 3771.390000000000 844.999000000000 225.944000000000 38.896300000000 24.174400000000 15.036500000000 6.373390000000 3.980440000000 1.913700000000 1.046850000000 0.541124000000 0.219604000000 0.111243000000 0.053493000000 0.025780000000
0.000004000000 -0.000001000000 -0.000003000000 -0.000003000000 0.000005000000 0.000021000000 0.000000000000
0.000026000000 -0.000008000000 -0.000018000000 -0.000029000000 0.000050000000 -0.000044000000 0.000000000000
0.000131000000 -0.000040000000 -0.000091000000 -0.000114000000 0.000136000000 0.001142000000 0.000000000000
0.000411000000 -0.000136000000 -0.000283000000 -0.000517000000 0.000953000000 -0.002527000000 0.000000000000
0.009050000000 -0.002486000000 -0.005746000000 -0.004564000000 0.000124000000 0.158501000000 0.000000000000
-0.070439000000 0.020147000000 0.044464000000 0.048984000000 -0.046083000000 -0.712976000000 0.000000000000
0.220502000000 -0.066256000000 -0.144538000000 -0.184682000000 0.237165000000 1.499185000000 0.000000000000
-0.387008000000 0.132587000000 0.291197000000 0.314692000000 -0.398476000000 -4.694447000000 0.000000000000
-0.379799000000 0.109239000000 0.276286000000 0.816390000000 -1.832678000000 4.518842000000 0.000000000000
0.429568000000 -0.162767000000 -0.460150000000 -1.877941000000 6.872488000000 4.644441000000 0.000000000000
0.684381000000 -0.296000000000 -1.133041000000 -1.142046000000 -6.178315000000 -12.536585000000 0.000000000000
0.288287000000 -0.216096000000 0.492423000000 3.047494000000 -0.224868000000 11.392591000000 0.000000000000
0.022197000000 0.096374000000 1.376648000000 -0.104995000000 4.615648000000 -6.202029000000 0.000000000000
-0.001596000000 0.455837000000 0.048435000000 -2.048723000000 -3.466085000000 1.090057000000 0.000000000000
0.002742000000 0.498975000000 -0.625979000000 0.385194000000 -0.454108000000 2.582244000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
135.273000000000 23.076100000000 14.413400000000 9.004190000000 5.415840000000 2.350790000000 1.334400000000 0.733547000000 0.390166000000 0.188557000000 0.091482000000 0.044394000000 0.021324000000
0.000186000000 0.000052000000 -0.000104000000 -0.000131000000 -0.000315000000 0.002641000000 0.000000000000
-0.004271000000 -0.001117000000 0.001974000000 0.000952000000 0.007078000000 -0.124041000000 0.000000000000
0.057233000000 0.015888000000 -0.032181000000 -0.042271000000 -0.092188000000 0.694391000000 0.000000000000
-0.114179000000 -0.033913000000 0.067997000000 0.086386000000 0.185870000000 -1.605329000000 0.000000000000
-0.139311000000 -0.035933000000 0.087962000000 0.202409000000 0.362628000000 0.978774000000 0.000000000000
0.275996000000 0.089822000000 -0.218022000000 -0.561967000000 -1.907553000000 3.738171000000 0.000000000000
0.453404000000 0.146978000000 -0.379821000000 -0.786671000000 0.285031000000 -7.026613000000 0.000000000000
0.330952000000 0.125176000000 -0.155592000000 0.659483000000 2.654028000000 4.419991000000 0.000000000000
0.113291000000 -0.028604000000 0.362010000000 1.068010000000 -1.691851000000 0.226439000000 0.000000000000
0.013341000000 -0.272707000000 0.565506000000 -0.325627000000 -0.900234000000 -2.034268000000 0.000000000000
0.000883000000 -0.443789000000 0.257409000000 -0.692484000000 0.991957000000 0.894802000000 0.000000000000
0.000170000000 -0.336910000000 0.035487000000 -0.089627000000 0.150465000000 0.262520000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
167.087000000000 50.003200000000 16.821400000000 8.372500000000 3.253000000000 1.809990000000 0.977062000000 0.510875000000 0.257533000000 0.124094000000 0.055548000000
0.000067000000 -0.000071000000 -0.000138000000 -0.000451000000 0.000410000000 0.000000000000
0.000548000000 -0.000669000000 -0.000762000000 0.000442000000 0.000816000000 0.000000000000
0.004804000000 -0.005093000000 -0.009055000000 -0.025264000000 0.026982000000 0.000000000000
-0.026008000000 0.028910000000 0.049434000000 0.121120000000 -0.166932000000 0.000000000000
0.111788000000 -0.142036000000 -0.279134000000 -0.824085000000 1.912954000000 0.000000000000
0.253774000000 -0.347204000000 -0.616523000000 -0.445943000000 -2.161295000000 0.000000000000
0.317815000000 -0.284098000000 0.195936000000 1.760145000000 -0.329625000000 0.000000000000
0.284465000000 0.117325000000 0.791673000000 -0.485957000000 2.259440000000 0.000000000000
0.190223000000 0.424237000000 0.120339000000 -0.923515000000 -1.636796000000 0.000000000000
0.084014000000 0.395149000000 -0.573838000000 0.364756000000 -0.112948000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6.058200000000 2.292900000000 0.867800000000 0.328400000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.053600000000 1.284500000000 0.540300000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.520200000000 0.949800000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
2.005100000000
1.000000000000
Pd:aug-cc-pVDZ-PP
Peterson's correlation consistent ECP basis set
4
0 1 2 3
5 5 4 2
9 8 7 2
208.123000000000 22.852500000000 14.298600000000 5.488010000000 1.325320000000 0.598957000000 0.120983000000 0.043459000000 0.015600000000
0.000727000000 -0.000189000000 0.000800000000 0.000000000000 0.000000000000
-0.040928000000 0.009818000000 -0.041781000000 0.000000000000 0.000000000000
0.192285000000 -0.052876000000 0.159362000000 0.000000000000 0.000000000000
-0.650104000000 0.203511000000 -0.523123000000 0.000000000000 0.000000000000
0.856553000000 -0.363935000000 1.491773000000 0.000000000000 0.000000000000
0.443876000000 -0.258219000000 -0.791696000000 0.000000000000 0.000000000000
0.017850000000 0.570432000000 -1.517254000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
14.050900000000 7.139060000000 1.830070000000 0.858335000000 0.377275000000 0.125696000000 0.042659000000 0.014500000000
0.037997000000 -0.009313000000 -0.018603000000 0.000000000000 0.000000000000
-0.204077000000 0.054671000000 0.109865000000 0.000000000000 0.000000000000
0.513768000000 -0.166161000000 -0.366400000000 0.000000000000 0.000000000000
0.494240000000 -0.185842000000 -0.347316000000 0.000000000000 0.000000000000
0.140291000000 0.073161000000 0.482034000000 0.000000000000 0.000000000000
0.005157000000 0.586172000000 0.709640000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
19.253900000000 10.584800000000 2.456190000000 1.035290000000 0.402008000000 0.137057000000 0.046700000000
0.006624000000 -0.007839000000 0.000000000000 0.000000000000
-0.018411000000 0.021838000000 0.000000000000 0.000000000000
0.263396000000 -0.369155000000 0.000000000000 0.000000000000
0.452448000000 -0.430959000000 0.000000000000 0.000000000000
0.375833000000 0.374965000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.148400000000 0.378800000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Pd: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
247.202000000000 20.793700000000 13.001900000000 8.125620000000 4.888420000000 1.392060000000 0.638382000000 0.158828000000 0.075793000000 0.033184000000 0.014500000000
0.000624000000 -0.000200000000 -0.000289000000 -0.000806000000 0.000000000000 0.000000000000
-0.050198000000 0.015867000000 0.010049000000 0.067335000000 0.000000000000 0.000000000000
0.296242000000 -0.096870000000 -0.105542000000 -0.397207000000 0.000000000000 0.000000000000
-0.264015000000 0.101716000000 0.025518000000 0.458351000000 0.000000000000 0.000000000000
-0.503715000000 0.143491000000 0.519683000000 0.557095000000 0.000000000000 0.000000000000
0.817743000000 -0.329174000000 -1.417422000000 -3.235207000000 0.000000000000 0.000000000000
0.496409000000 -0.299631000000 0.431803000000 3.434450000000 0.000000000000 0.000000000000
0.032318000000 0.259150000000 1.856346000000 -0.847843000000 0.000000000000 0.000000000000
-0.011023000000 0.599329000000 -0.962634000000 -1.377241000000 0.000000000000 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
24.882400000000 15.551700000000 6.923430000000 1.922860000000 0.971191000000 0.476919000000 0.193866000000 0.078792000000 0.031653000000 0.012700000000
-0.001722000000 -0.000212000000 0.000258000000 0.003432000000 0.000000000000 0.000000000000
0.031534000000 -0.006801000000 -0.016521000000 -0.034536000000 0.000000000000 0.000000000000
-0.201062000000 0.053988000000 0.120805000000 0.216250000000 0.000000000000 0.000000000000
0.452572000000 -0.148671000000 -0.364275000000 -0.869285000000 0.000000000000 0.000000000000
0.479947000000 -0.166744000000 -0.380740000000 -0.296299000000 0.000000000000 0.000000000000
0.204045000000 -0.034726000000 0.289059000000 1.522696000000 0.000000000000 0.000000000000
0.022517000000 0.326321000000 0.682454000000 -0.263822000000 0.000000000000 0.000000000000
-0.000614000000 0.559976000000 0.258514000000 -0.759892000000 0.000000000000 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
29.020400000000 6.411490000000 3.997360000000 1.887420000000 0.913208000000 0.425675000000 0.187727000000 0.075790000000 0.030600000000
0.002172000000 -0.002352000000 0.003761000000 0.000000000000 0.000000000000
-0.047958000000 0.054414000000 -0.096763000000 0.000000000000 0.000000000000
0.103343000000 -0.126309000000 0.251919000000 0.000000000000 0.000000000000
0.293210000000 -0.397795000000 0.703930000000 0.000000000000 0.000000000000
0.371687000000 -0.296433000000 -0.328375000000 0.000000000000 0.000000000000
0.306456000000 0.261717000000 -0.838100000000 0.000000000000 0.000000000000
0.166629000000 0.537689000000 0.324253000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.232900000000 0.638400000000 0.244400000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.372100000000 0.597900000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Pd: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
7844.890000000000 1169.530000000000 259.644000000000 39.221100000000 24.493400000000 15.296900000000 6.038960000000 3.762280000000 1.807100000000 0.974305000000 0.497203000000 0.162020000000 0.071460000000 0.031310000000 0.013700000000
0.000015000000 -0.000005000000 -0.000010000000 0.000002000000 -0.000015000000 0.000000000000 0.000000000000
0.000107000000 -0.000033000000 -0.000084000000 0.000015000000 -0.000109000000 0.000000000000 0.000000000000
0.000412000000 -0.000135000000 -0.000230000000 0.000058000000 -0.000408000000 0.000000000000 0.000000000000
0.009864000000 -0.002716000000 -0.009074000000 0.001290000000 -0.009078000000 0.000000000000 0.000000000000
-0.071922000000 0.020517000000 0.056339000000 -0.009202000000 0.064803000000 0.000000000000 0.000000000000
0.212833000000 -0.063689000000 -0.156313000000 0.028370000000 -0.199913000000 0.000000000000 0.000000000000
-0.454220000000 0.155118000000 0.394367000000 -0.069003000000 0.486689000000 0.000000000000 0.000000000000
-0.299621000000 0.080052000000 0.118491000000 -0.071759000000 0.506148000000 0.000000000000 0.000000000000
0.504612000000 -0.186570000000 -0.391114000000 0.254958000000 -1.805852000000 0.000000000000 0.000000000000
0.662277000000 -0.305499000000 -1.396798000000 0.145193000000 -1.005889000000 0.000000000000 0.000000000000
0.240681000000 -0.181309000000 1.101124000000 -0.464757000000 3.267016000000 0.000000000000 0.000000000000
0.012646000000 0.303974000000 1.312854000000 0.224437000000 -1.576419000000 0.000000000000 0.000000000000
-0.000472000000 0.617764000000 -0.657630000000 0.129175000000 -0.938299000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
98.824300000000 27.985900000000 17.487300000000 6.786380000000 1.987880000000 1.065730000000 0.583829000000 0.314636000000 0.135737000000 0.060277000000 0.026540000000 0.011700000000
0.000318000000 -0.000051000000 -0.000166000000 0.000419000000 0.000009000000 0.000000000000 0.000000000000
-0.004671000000 0.000678000000 0.002266000000 -0.005884000000 -0.001324000000 0.000000000000 0.000000000000
0.029241000000 -0.006679000000 -0.016118000000 0.031700000000 0.037204000000 0.000000000000 0.000000000000
-0.199282000000 0.054415000000 0.121953000000 -0.224040000000 -0.388246000000 0.000000000000 0.000000000000
0.410139000000 -0.138202000000 -0.340379000000 0.865696000000 2.638413000000 0.000000000000 0.000000000000
0.447144000000 -0.141000000000 -0.328181000000 0.345280000000 -2.745729000000 0.000000000000 0.000000000000
0.236221000000 -0.101071000000 -0.033052000000 -0.993172000000 -0.638402000000 0.000000000000 0.000000000000
0.062469000000 0.126593000000 0.548795000000 -0.677552000000 1.904561000000 0.000000000000 0.000000000000
0.006075000000 0.421120000000 0.533222000000 0.773184000000 -0.195481000000 0.000000000000 0.000000000000
-0.000085000000 0.472237000000 0.099434000000 0.376531000000 -0.679862000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
78.340600000000 21.023500000000 7.518730000000 3.689330000000 2.019340000000 1.071760000000 0.551662000000 0.273933000000 0.130111000000 0.057473000000 0.025400000000
0.000319000000 -0.000390000000 -0.000571000000 -0.000413000000 0.000000000000 0.000000000000
0.003169000000 -0.003360000000 -0.004965000000 -0.011647000000 0.000000000000 0.000000000000
-0.030128000000 0.033456000000 0.052314000000 0.125553000000 0.000000000000 0.000000000000
0.082058000000 -0.099888000000 -0.175726000000 -0.568492000000 0.000000000000 0.000000000000
0.240533000000 -0.334454000000 -0.655830000000 -0.797255000000 0.000000000000 0.000000000000
0.325414000000 -0.326736000000 0.029719000000 1.570227000000 0.000000000000 0.000000000000
0.300948000000 0.066370000000 0.832161000000 0.016498000000 0.000000000000 0.000000000000
0.205009000000 0.420514000000 0.196024000000 -1.163136000000 0.000000000000 0.000000000000
0.092177000000 0.417007000000 -0.565197000000 0.322712000000 0.000000000000 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
3.719600000000 1.253700000000 0.422600000000 0.154000000000
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
2.223000000000 0.780100000000 0.336400000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.530700000000 0.697100000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Pd: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
23205.799999999999 3771.390000000000 844.999000000000 225.944000000000 38.896300000000 24.174400000000 15.036500000000 6.373390000000 3.980440000000 1.913700000000 1.046850000000 0.541124000000 0.219604000000 0.111243000000 0.053493000000 0.025780000000 0.012400000000
0.000004000000 -0.000001000000 -0.000003000000 -0.000003000000 0.000005000000 0.000021000000 0.000000000000 0.000000000000
0.000026000000 -0.000008000000 -0.000018000000 -0.000029000000 0.000050000000 -0.000044000000 0.000000000000 0.000000000000
0.000131000000 -0.000040000000 -0.000091000000 -0.000114000000 0.000136000000 0.001142000000 0.000000000000 0.000000000000
0.000411000000 -0.000136000000 -0.000283000000 -0.000517000000 0.000953000000 -0.002527000000 0.000000000000 0.000000000000
0.009050000000 -0.002486000000 -0.005746000000 -0.004564000000 0.000124000000 0.158501000000 0.000000000000 0.000000000000
-0.070439000000 0.020147000000 0.044464000000 0.048984000000 -0.046083000000 -0.712976000000 0.000000000000 0.000000000000
0.220502000000 -0.066256000000 -0.144538000000 -0.184682000000 0.237165000000 1.499185000000 0.000000000000 0.000000000000
-0.387008000000 0.132587000000 0.291197000000 0.314692000000 -0.398476000000 -4.694447000000 0.000000000000 0.000000000000
-0.379799000000 0.109239000000 0.276286000000 0.816390000000 -1.832678000000 4.518842000000 0.000000000000 0.000000000000
0.429568000000 -0.162767000000 -0.460150000000 -1.877941000000 6.872488000000 4.644441000000 0.000000000000 0.000000000000
0.684381000000 -0.296000000000 -1.133041000000 -1.142046000000 -6.178315000000 -12.536585000000 0.000000000000 0.000000000000
0.288287000000 -0.216096000000 0.492423000000 3.047494000000 -0.224868000000 11.392591000000 0.000000000000 0.000000000000
0.022197000000 0.096374000000 1.376648000000 -0.104995000000 4.615648000000 -6.202029000000 0.000000000000 0.000000000000
-0.001596000000 0.455837000000 0.048435000000 -2.048723000000 -3.466085000000 1.090057000000 0.000000000000 0.000000000000
0.002742000000 0.498975000000 -0.625979000000 0.385194000000 -0.454108000000 2.582244000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
135.273000000000 23.076100000000 14.413400000000 9.004190000000 5.415840000000 2.350790000000 1.334400000000 0.733547000000 0.390166000000 0.188557000000 0.091482000000 0.044394000000 0.021324000000 0.010200000000
0.000186000000 0.000052000000 -0.000104000000 -0.000131000000 -0.000315000000 0.002641000000 0.000000000000 0.000000000000
-0.004271000000 -0.001117000000 0.001974000000 0.000952000000 0.007078000000 -0.124041000000 0.000000000000 0.000000000000
0.057233000000 0.015888000000 -0.032181000000 -0.042271000000 -0.092188000000 0.694391000000 0.000000000000 0.000000000000
-0.114179000000 -0.033913000000 0.067997000000 0.086386000000 0.185870000000 -1.605329000000 0.000000000000 0.000000000000
-0.139311000000 -0.035933000000 0.087962000000 0.202409000000 0.362628000000 0.978774000000 0.000000000000 0.000000000000
0.275996000000 0.089822000000 -0.218022000000 -0.561967000000 -1.907553000000 3.738171000000 0.000000000000 0.000000000000
0.453404000000 0.146978000000 -0.379821000000 -0.786671000000 0.285031000000 -7.026613000000 0.000000000000 0.000000000000
0.330952000000 0.125176000000 -0.155592000000 0.659483000000 2.654028000000 4.419991000000 0.000000000000 0.000000000000
0.113291000000 -0.028604000000 0.362010000000 1.068010000000 -1.691851000000 0.226439000000 0.000000000000 0.000000000000
0.013341000000 -0.272707000000 0.565506000000 -0.325627000000 -0.900234000000 -2.034268000000 0.000000000000 0.000000000000
0.000883000000 -0.443789000000 0.257409000000 -0.692484000000 0.991957000000 0.894802000000 0.000000000000 0.000000000000
0.000170000000 -0.336910000000 0.035487000000 -0.089627000000 0.150465000000 0.262520000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
167.087000000000 50.003200000000 16.821400000000 8.372500000000 3.253000000000 1.809990000000 0.977062000000 0.510875000000 0.257533000000 0.124094000000 0.055548000000 0.024900000000
0.000067000000 -0.000071000000 -0.000138000000 -0.000451000000 0.000410000000 0.000000000000 0.000000000000
0.000548000000 -0.000669000000 -0.000762000000 0.000442000000 0.000816000000 0.000000000000 0.000000000000
0.004804000000 -0.005093000000 -0.009055000000 -0.025264000000 0.026982000000 0.000000000000 0.000000000000
-0.026008000000 0.028910000000 0.049434000000 0.121120000000 -0.166932000000 0.000000000000 0.000000000000
0.111788000000 -0.142036000000 -0.279134000000 -0.824085000000 1.912954000000 0.000000000000 0.000000000000
0.253774000000 -0.347204000000 -0.616523000000 -0.445943000000 -2.161295000000 0.000000000000 0.000000000000
0.317815000000 -0.284098000000 0.195936000000 1.760145000000 -0.329625000000 0.000000000000 0.000000000000
0.284465000000 0.117325000000 0.791673000000 -0.485957000000 2.259440000000 0.000000000000 0.000000000000
0.190223000000 0.424237000000 0.120339000000 -0.923515000000 -1.636796000000 0.000000000000 0.000000000000
0.084014000000 0.395149000000 -0.573838000000 0.364756000000 -0.112948000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6.058200000000 2.292900000000 0.867800000000 0.328400000000 0.124400000000
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
3.053600000000 1.284500000000 0.540300000000 0.222900000000
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
2.520200000000 0.949800000000 0.410100000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.005100000000 1.031100000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Pd:aug-cc-pwCVDZ-PP
Peterson's correlation consistent ECP basis set
4
0 1 2 3
6 6 5 3
10 9 8 3
208.123000000000 22.852500000000 14.298600000000 5.488010000000 2.295600000000 1.325320000000 0.598957000000 0.120983000000 0.043459000000 0.015600000000
0.000000000000 0.000727000000 0.000800000000 -0.000189000000 0.000000000000 0.000000000000
0.000000000000 -0.040928000000 -0.041781000000 0.009818000000 0.000000000000 0.000000000000
0.000000000000 0.192285000000 0.159362000000 -0.052876000000 0.000000000000 0.000000000000
0.000000000000 -0.650104000000 -0.523123000000 0.203511000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.856553000000 1.491773000000 -0.363935000000 0.000000000000 0.000000000000
0.000000000000 0.443876000000 -0.791696000000 -0.258219000000 0.000000000000 0.000000000000
0.000000000000 0.017850000000 -1.517254000000 0.570432000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
14.050900000000 7.139060000000 2.390000000000 1.830070000000 0.858335000000 0.377275000000 0.125696000000 0.042659000000 0.014500000000
0.000000000000 0.037997000000 -0.018603000000 -0.009313000000 0.000000000000 0.000000000000
0.000000000000 -0.204077000000 0.109865000000 0.054671000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.513768000000 -0.366400000000 -0.166161000000 0.000000000000 0.000000000000
0.000000000000 0.494240000000 -0.347316000000 -0.185842000000 0.000000000000 0.000000000000
0.000000000000 0.140291000000 0.482034000000 0.073161000000 0.000000000000 0.000000000000
0.000000000000 0.005157000000 0.709640000000 0.586172000000 0.000000000000 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
19.253900000000 10.584800000000 2.469900000000 2.456190000000 1.035290000000 0.402008000000 0.137057000000 0.046700000000
0.000000000000 -0.007839000000 0.006624000000 0.000000000000 0.000000000000
0.000000000000 0.021838000000 -0.018411000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.369155000000 0.263396000000 0.000000000000 0.000000000000
0.000000000000 -0.430959000000 0.452448000000 0.000000000000 0.000000000000
0.000000000000 0.374965000000 0.375833000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.482100000000 1.148400000000 0.378800000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Pd: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
247.202000000000 20.793700000000 13.001900000000 8.125620000000 4.888420000000 2.082000000000 1.392060000000 1.305400000000 0.638382000000 0.158828000000 0.075793000000 0.033184000000 0.014500000000
0.000000000000 0.000000000000 0.000624000000 -0.000289000000 -0.000200000000 -0.000806000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.050198000000 0.010049000000 0.015867000000 0.067335000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.296242000000 -0.105542000000 -0.096870000000 -0.397207000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.264015000000 0.025518000000 0.101716000000 0.458351000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.503715000000 0.519683000000 0.143491000000 0.557095000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.817743000000 -1.417422000000 -0.329174000000 -3.235207000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.496409000000 0.431803000000 -0.299631000000 3.434450000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.032318000000 1.856346000000 0.259150000000 -0.847843000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.011023000000 -0.962634000000 0.599329000000 -1.377241000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
24.882400000000 15.551700000000 6.923430000000 3.451500000000 1.922860000000 1.118600000000 0.971191000000 0.476919000000 0.193866000000 0.078792000000 0.031653000000 0.012700000000
0.000000000000 0.000000000000 -0.001722000000 0.000258000000 0.003432000000 -0.000212000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.031534000000 -0.016521000000 -0.034536000000 -0.006801000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.201062000000 0.120805000000 0.216250000000 0.053988000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.452572000000 -0.364275000000 -0.869285000000 -0.148671000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.479947000000 -0.380740000000 -0.296299000000 -0.166744000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.204045000000 0.289059000000 1.522696000000 -0.034726000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.022517000000 0.682454000000 -0.263822000000 0.326321000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.000614000000 0.258514000000 -0.759892000000 0.559976000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
29.020400000000 6.411490000000 3.997360000000 3.762400000000 1.887420000000 1.246600000000 0.913208000000 0.425675000000 0.187727000000 0.075790000000 0.030600000000
0.000000000000 0.000000000000 0.002172000000 0.003761000000 -0.002352000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.047958000000 -0.096763000000 0.054414000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.103343000000 0.251919000000 -0.126309000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.293210000000 0.703930000000 -0.397795000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.371687000000 -0.328375000000 -0.296433000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.306456000000 -0.838100000000 0.261717000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.166629000000 0.324253000000 0.537689000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.335900000000 1.667800000000 0.638400000000 0.244400000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.148900000000 1.372100000000 0.597900000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Pd: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
7844.890000000000 1169.530000000000 259.644000000000 39.221100000000 24.493400000000 15.296900000000 6.038960000000 3.762280000000 2.583400000000 1.807100000000 1.617700000000 0.974305000000 0.497203000000 0.162020000000 0.071460000000 0.031310000000 0.013700000000
0.000000000000 0.000000000000 0.000015000000 -0.000010000000 -0.000005000000 0.000002000000 -0.000015000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000107000000 -0.000084000000 -0.000033000000 0.000015000000 -0.000109000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000412000000 -0.000230000000 -0.000135000000 0.000058000000 -0.000408000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.009864000000 -0.009074000000 -0.002716000000 0.001290000000 -0.009078000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.071922000000 0.056339000000 0.020517000000 -0.009202000000 0.064803000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.212833000000 -0.156313000000 -0.063689000000 0.028370000000 -0.199913000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.454220000000 0.394367000000 0.155118000000 -0.069003000000 0.486689000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.299621000000 0.118491000000 0.080052000000 -0.071759000000 0.506148000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.504612000000 -0.391114000000 -0.186570000000 0.254958000000 -1.805852000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.662277000000 -1.396798000000 -0.305499000000 0.145193000000 -1.005889000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.240681000000 1.101124000000 -0.181309000000 -0.464757000000 3.267016000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.012646000000 1.312854000000 0.303974000000 0.224437000000 -1.576419000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.000472000000 -0.657630000000 0.617764000000 0.129175000000 -0.938299000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
98.824300000000 27.985900000000 17.487300000000 6.786380000000 3.246000000000 1.987880000000 1.811800000000 1.065730000000 0.583829000000 0.314636000000 0.135737000000 0.060277000000 0.026540000000 0.011700000000
0.000000000000 0.000000000000 0.000318000000 -0.000166000000 0.000009000000 0.000419000000 -0.000051000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.004671000000 0.002266000000 -0.001324000000 -0.005884000000 0.000678000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.029241000000 -0.016118000000 0.037204000000 0.031700000000 -0.006679000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.199282000000 0.121953000000 -0.388246000000 -0.224040000000 0.054415000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.410139000000 -0.340379000000 2.638413000000 0.865696000000 -0.138202000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.447144000000 -0.328181000000 -2.745729000000 0.345280000000 -0.141000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.236221000000 -0.033052000000 -0.638402000000 -0.993172000000 -0.101071000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.062469000000 0.548795000000 1.904561000000 -0.677552000000 0.126593000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.006075000000 0.533222000000 -0.195481000000 0.773184000000 0.421120000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.000085000000 0.099434000000 -0.679862000000 0.376531000000 0.472237000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
78.340600000000 21.023500000000 7.518730000000 4.408100000000 3.689330000000 2.019340000000 1.702600000000 1.071760000000 0.551662000000 0.273933000000 0.130111000000 0.057473000000 0.025400000000
0.000000000000 0.000000000000 0.000319000000 -0.000413000000 -0.000571000000 -0.000390000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.003169000000 -0.011647000000 -0.004965000000 -0.003360000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.030128000000 0.125553000000 0.052314000000 0.033456000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.082058000000 -0.568492000000 -0.175726000000 -0.099888000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.240533000000 -0.797255000000 -0.655830000000 -0.334454000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.325414000000 1.570227000000 0.029719000000 -0.326736000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.300948000000 0.016498000000 0.832161000000 0.066370000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.205009000000 -1.163136000000 0.196024000000 0.420514000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.092177000000 0.322712000000 -0.565197000000 0.417007000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6.158300000000 2.672000000000 1.159300000000 0.422600000000 0.154000000000
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
3.535400000000 1.809000000000 0.780100000000 0.336400000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.360800000000 1.530700000000 0.697100000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Pd: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
23205.799999999999 3771.390000000000 844.999000000000 225.944000000000 38.896300000000 24.174400000000 15.036500000000 6.373390000000 3.980440000000 1.913700000000 1.650400000000 1.046850000000 1.032300000000 0.541124000000 0.219604000000 0.111243000000 0.053493000000 0.025780000000 0.012400000000
0.000000000000 0.000000000000 0.000004000000 -0.000003000000 -0.000003000000 -0.000001000000 0.000005000000 0.000021000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000026000000 -0.000018000000 -0.000029000000 -0.000008000000 0.000050000000 -0.000044000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000131000000 -0.000091000000 -0.000114000000 -0.000040000000 0.000136000000 0.001142000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000411000000 -0.000283000000 -0.000517000000 -0.000136000000 0.000953000000 -0.002527000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.009050000000 -0.005746000000 -0.004564000000 -0.002486000000 0.000124000000 0.158501000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.070439000000 0.044464000000 0.048984000000 0.020147000000 -0.046083000000 -0.712976000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.220502000000 -0.144538000000 -0.184682000000 -0.066256000000 0.237165000000 1.499185000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.387008000000 0.291197000000 0.314692000000 0.132587000000 -0.398476000000 -4.694447000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.379799000000 0.276286000000 0.816390000000 0.109239000000 -1.832678000000 4.518842000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.429568000000 -0.460150000000 -1.877941000000 -0.162767000000 6.872488000000 4.644441000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.684381000000 -1.133041000000 -1.142046000000 -0.296000000000 -6.178315000000 -12.536585000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.288287000000 0.492423000000 3.047494000000 -0.216096000000 -0.224868000000 11.392591000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.022197000000 1.376648000000 -0.104995000000 0.096374000000 4.615648000000 -6.202029000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.001596000000 0.048435000000 -2.048723000000 0.455837000000 -3.466085000000 1.090057000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.002742000000 -0.625979000000 0.385194000000 0.498975000000 -0.454108000000 2.582244000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
135.273000000000 23.076100000000 14.413400000000 9.004190000000 5.415840000000 2.350790000000 2.029100000000 1.334400000000 1.267900000000 0.733547000000 0.390166000000 0.188557000000 0.091482000000 0.044394000000 0.021324000000 0.010200000000
0.000000000000 0.000000000000 0.000186000000 -0.000104000000 0.002641000000 -0.000131000000 -0.000315000000 0.000052000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.004271000000 0.001974000000 -0.124041000000 0.000952000000 0.007078000000 -0.001117000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.057233000000 -0.032181000000 0.694391000000 -0.042271000000 -0.092188000000 0.015888000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.114179000000 0.067997000000 -1.605329000000 0.086386000000 0.185870000000 -0.033913000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.139311000000 0.087962000000 0.978774000000 0.202409000000 0.362628000000 -0.035933000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.275996000000 -0.218022000000 3.738171000000 -0.561967000000 -1.907553000000 0.089822000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.453404000000 -0.379821000000 -7.026613000000 -0.786671000000 0.285031000000 0.146978000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.330952000000 -0.155592000000 4.419991000000 0.659483000000 2.654028000000 0.125176000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.113291000000 0.362010000000 0.226439000000 1.068010000000 -1.691851000000 -0.028604000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.013341000000 0.565506000000 -2.034268000000 -0.325627000000 -0.900234000000 -0.272707000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000883000000 0.257409000000 0.894802000000 -0.692484000000 0.991957000000 -0.443789000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000170000000 0.035487000000 0.262520000000 -0.089627000000 0.150465000000 -0.336910000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
167.087000000000 50.003200000000 16.821400000000 8.372500000000 3.253000000000 1.809990000000 1.624200000000 0.977062000000 0.821200000000 0.510875000000 0.257533000000 0.124094000000 0.055548000000 0.024900000000
0.000000000000 0.000000000000 0.000067000000 -0.000451000000 -0.000138000000 0.000410000000 -0.000071000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000548000000 0.000442000000 -0.000762000000 0.000816000000 -0.000669000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.004804000000 -0.025264000000 -0.009055000000 0.026982000000 -0.005093000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.026008000000 0.121120000000 0.049434000000 -0.166932000000 0.028910000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.111788000000 -0.824085000000 -0.279134000000 1.912954000000 -0.142036000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.253774000000 -0.445943000000 -0.616523000000 -2.161295000000 -0.347204000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.317815000000 1.760145000000 0.195936000000 -0.329625000000 -0.284098000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.284465000000 -0.485957000000 0.791673000000 2.259440000000 0.117325000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.190223000000 -0.923515000000 0.120339000000 -1.636796000000 0.424237000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.084014000000 0.364756000000 -0.573838000000 -0.112948000000 0.395149000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.928300000000 4.103700000000 1.886100000000 0.866900000000 0.328400000000 0.124400000000
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
4.011400000000 2.292300000000 1.309900000000 0.540300000000 0.222900000000
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
3.962700000000 2.199500000000 0.949800000000 0.410100000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.899100000000 2.005100000000 1.031100000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Pd:def2-SV(P)
Weigend and Ahlrichs' Gaussian basis set
3
0 1 2
5 3 2
7 6 5
8.475640000000 7.165717000000 3.182110000000 1.397364419600 0.605329558680 0.102295142090 0.037338972881
1.239239107600 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-1.656310997000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.131786190600 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
4.246097000000 3.392594000000 1.197589126400 0.526737505850 0.206070940980 0.037000000000
-0.823241049730 0.000000000000 0.000000000000
0.870846599330 0.000000000000 0.000000000000
0.635122257910 0.000000000000 0.000000000000
0.272253387520 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
7.361329098500 2.629103725800 1.129274463400 0.444716598960 0.155448938360
-0.017199885828 0.000000000000
0.233137452750 0.000000000000
0.445363858670 0.000000000000
0.392936504060 0.000000000000
0.000000000000 1.000000000000
Pd:def2-SVP
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
5 3 2 1
7 6 5 1
8.475640000000 7.165717000000 3.182110000000 1.397364419600 0.605329558680 0.102295142090 0.037338972881
1.239239107600 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-1.656310997000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.131786190600 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
4.246097000000 3.392594000000 1.197589126400 0.526737505850 0.206070940980 0.037000000000
-0.823241049730 0.000000000000 0.000000000000
0.870846599330 0.000000000000 0.000000000000
0.635122257910 0.000000000000 0.000000000000
0.272253387520 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
7.361329098500 2.629103725800 1.129274463400 0.444716598960 0.155448938360
-0.017199885828 0.000000000000
0.233137452750 0.000000000000
0.445363858670 0.000000000000
0.392936504060 0.000000000000
0.000000000000 1.000000000000
1.246290000000
1.000000000000
Pd:def2-TZVP
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
6 4 3 1
7 7 6 1
18.000000000000 14.662134308000 5.638870926500 1.319895325200 0.578179085090 0.103521662390 0.037548442674
-0.166053885980 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.348999550550 0.000000000000 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
12.552899300000 7.244449638000 1.890594107800 0.907371687600 0.408772108130 0.115000000000 0.037000000000
0.061728998206 0.000000000000 0.000000000000 0.000000000000
-0.241786267530 0.000000000000 0.000000000000 0.000000000000
0.494532009150 0.000000000000 0.000000000000 0.000000000000
0.504543626260 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
22.357457575000 10.682526382000 2.485823255000 1.073533390300 0.426138428530 0.150463553850
0.003955947955 0.000000000000 0.000000000000
-0.014039011601 0.000000000000 0.000000000000
0.242194767760 0.000000000000 0.000000000000
0.425802832810 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.246290000000
1.000000000000
Pd:def2-TZVPP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
6 4 3 2 1
7 7 6 2 1
18.000000000000 14.662134308000 5.638870926500 1.319895325200 0.578179085090 0.103521662390 0.037548442674
-0.166053885980 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.348999550550 0.000000000000 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
12.552899300000 7.244449638000 1.890594107800 0.907371687600 0.408772108130 0.115000000000 0.037000000000
0.061728998206 0.000000000000 0.000000000000 0.000000000000
-0.241786267530 0.000000000000 0.000000000000 0.000000000000
0.494532009150 0.000000000000 0.000000000000 0.000000000000
0.504543626260 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
22.357457575000 10.682526382000 2.485823255000 1.073533390300 0.426138428530 0.150463553850
0.003955947955 0.000000000000 0.000000000000
-0.014039011601 0.000000000000 0.000000000000
0.242194767760 0.000000000000 0.000000000000
0.425802832810 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.242460000000 0.635750000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
1.377700000000
1.000000000000
Pd:def2-QZVP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
7 5 4 3 1
9 8 7 3 1
15.262399331000 13.721983176000 4.844828626800 8.730932658800 1.435756409400 0.660884337200 0.208972127900 0.091936735872 0.034733479706
0.441457274540 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.702930059790 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.360953901080 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
12.585237008000 7.205810483900 1.955870564000 1.053441861800 0.598093895520 0.303624112970 0.088000000000 0.030000000000
0.060002003747 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.240221831180 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.434249400670 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.420844360880 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
28.840985892000 8.458416344000 2.864894175400 1.396648884700 0.639216772300 0.275023198360 0.108299400740
0.002113147031 0.000000000000 0.000000000000 0.000000000000
-0.017913194955 0.000000000000 0.000000000000 0.000000000000
0.171655076630 0.000000000000 0.000000000000 0.000000000000
0.361492511500 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.720000000000 1.246290000000 0.417540000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.377700000000
1.000000000000
Pd:def2-QZVPP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
7 5 4 4 2
9 8 7 4 2
15.262399331000 13.721983176000 4.844828626800 8.730932658800 1.435756409400 0.660884337200 0.208972127900 0.091936735872 0.034733479706
0.441457274540 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.702930059790 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.360953901080 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
12.585237008000 7.205810483900 1.955870564000 1.053441861800 0.598093895520 0.303624112970 0.088000000000 0.030000000000
0.060002003747 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.240221831180 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.434249400670 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.420844360880 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
28.840985892000 8.458416344000 2.864894175400 1.396648884700 0.639216772300 0.275023198360 0.108299400740
0.002113147031 0.000000000000 0.000000000000 0.000000000000
-0.017913194955 0.000000000000 0.000000000000 0.000000000000
0.171655076630 0.000000000000 0.000000000000 0.000000000000
0.361492511500 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.720000000000 1.246290000000 0.417540000000 0.139890000000
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
2.323450000000 0.787150000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Pd:def2-SVPD
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
5 4 2 1
7 7 5 1
8.475640000000 7.165717000000 3.182110000000 1.397364419600 0.605329558680 0.102295142090 0.037338972881
1.239239107600 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-1.656310997000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.131786190600 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
4.246097000000 3.392594000000 1.197589126400 0.526737505850 0.206070940980 0.037000000000 0.087300000000
-0.823241049730 0.000000000000 0.000000000000 0.000000000000
0.870846599330 0.000000000000 0.000000000000 0.000000000000
0.635122257910 0.000000000000 0.000000000000 0.000000000000
0.272253387520 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
7.361329098500 2.629103725800 1.129274463400 0.444716598960 0.155448938360
-0.017199885828 0.000000000000
0.233137452750 0.000000000000
0.445363858670 0.000000000000
0.392936504060 0.000000000000
0.000000000000 1.000000000000
1.246290000000
1.000000000000
Pd:def2-TZVPD
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
6 4 3 1
7 7 6 1
18.000000000000 14.662134308000 5.638870926500 1.319895325200 0.578179085090 0.103521662390 0.037548442674
-0.166053885980 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.348999550550 0.000000000000 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
12.552899300000 7.244449638000 1.890594107800 0.907371687600 0.408772108130 0.115000000000 0.037000000000
0.061728998206 0.000000000000 0.000000000000 0.000000000000
-0.241786267530 0.000000000000 0.000000000000 0.000000000000
0.494532009150 0.000000000000 0.000000000000 0.000000000000
0.504543626260 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
22.357457575000 10.682526382000 2.485823255000 1.073533390300 0.426138428530 0.150463553850
0.003955947955 0.000000000000 0.000000000000
-0.014039011601 0.000000000000 0.000000000000
0.242194767760 0.000000000000 0.000000000000
0.425802832810 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.246290000000
1.000000000000
Pd:def2-TZVPPD
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
6 4 3 2 1
7 7 6 2 1
18.000000000000 14.662134308000 5.638870926500 1.319895325200 0.578179085090 0.103521662390 0.037548442674
-0.166053885980 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.348999550550 0.000000000000 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
12.552899300000 7.244449638000 1.890594107800 0.907371687600 0.408772108130 0.115000000000 0.037000000000
0.061728998206 0.000000000000 0.000000000000 0.000000000000
-0.241786267530 0.000000000000 0.000000000000 0.000000000000
0.494532009150 0.000000000000 0.000000000000 0.000000000000
0.504543626260 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
22.357457575000 10.682526382000 2.485823255000 1.073533390300 0.426138428530 0.150463553850
0.003955947955 0.000000000000 0.000000000000
-0.014039011601 0.000000000000 0.000000000000
0.242194767760 0.000000000000 0.000000000000
0.425802832810 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.242460000000 0.635750000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
1.377700000000
1.000000000000
Pd:def2-QZVPD
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
7 5 4 3 1
9 8 7 3 1
15.262399331000 13.721983176000 4.844828626800 8.730932658800 1.435756409400 0.660884337200 0.208972127900 0.091936735872 0.034733479706
0.441457274540 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.702930059790 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.360953901080 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
12.585237008000 7.205810483900 1.955870564000 1.053441861800 0.598093895520 0.303624112970 0.088000000000 0.030000000000
0.060002003747 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.240221831180 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.434249400670 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.420844360880 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
28.840985892000 8.458416344000 2.864894175400 1.396648884700 0.639216772300 0.275023198360 0.108299400740
0.002113147031 0.000000000000 0.000000000000 0.000000000000
-0.017913194955 0.000000000000 0.000000000000 0.000000000000
0.171655076630 0.000000000000 0.000000000000 0.000000000000
0.361492511500 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.720000000000 1.246290000000 0.417540000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.377700000000
1.000000000000
Pd:def2-QZVPPD
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
7 5 4 4 2
9 8 7 4 2
15.262399331000 13.721983176000 4.844828626800 8.730932658800 1.435756409400 0.660884337200 0.208972127900 0.091936735872 0.034733479706
0.441457274540 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.702930059790 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.360953901080 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
12.585237008000 7.205810483900 1.955870564000 1.053441861800 0.598093895520 0.303624112970 0.088000000000 0.030000000000
0.060002003747 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.240221831180 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.434249400670 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.420844360880 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
28.840985892000 8.458416344000 2.864894175400 1.396648884700 0.639216772300 0.275023198360 0.108299400740
0.002113147031 0.000000000000 0.000000000000 0.000000000000
-0.017913194955 0.000000000000 0.000000000000 0.000000000000
0.171655076630 0.000000000000 0.000000000000 0.000000000000
0.361492511500 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.720000000000 1.246290000000 0.417540000000 0.139890000000
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
2.323450000000 0.787150000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Pd:LANL2DZ
Hay and Wadt's LANL2DZ Gaussian basis set
3
0 1 2
3 3 2
5 6 4
2.787000000000 1.965000000000 0.624300000000 0.149600000000 0.043600000000
-1.610239300000 1.354077500000 0.000000000000
1.848984200000 -1.678084800000 0.000000000000
0.603749200000 -0.855938100000 0.000000000000
0.000000000000 1.020029900000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
5.999000000000 1.443000000000 0.526400000000 0.736800000000 0.089900000000 0.026200000000
-0.103491000000 0.000000000000 0.000000000000
0.745695200000 0.000000000000 0.000000000000
0.365649400000 0.000000000000 0.000000000000
0.000000000000 0.076328500000 0.000000000000
0.000000000000 0.974006500000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
6.091000000000 1.719000000000 0.605600000000 0.188300000000
0.037614600000 0.000000000000
0.520047900000 0.000000000000
0.570607100000 0.000000000000
0.000000000000 1.000000000000
Pd: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
11.401900000000 8.012840000000 6.288550000000 4.206670000000 2.260320000000 1.082150000000 0.773313000000 0.413793000000 0.186841000000 0.086659000000
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
11.015900000000 7.563780000000 4.576250000000 3.688610000000 1.335610000000 1.013690000000 0.442766000000 0.242336000000 0.131828000000 0.071599000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
12.604700000000 6.198580000000 4.198650000000 2.091900000000 1.346920000000 0.672946000000 0.324970000000 0.184775000000 0.104783000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
12.813400000000 7.528010000000 4.381660000000 2.164040000000 1.473180000000 0.732205000000 0.342333000000 0.171711000000 0.088666000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
11.505600000000 4.524030000000 2.765490000000 1.593880000000 0.784864000000 0.310964000000 0.165755000000
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
5.150430000000 3.076450000000 1.690390000000 0.701145000000
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
Pd: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
84.192600000000 23.986300000000 8.599900000000 5.241730000000 4.019840000000 2.510370000000 1.213110000000 0.719025000000 0.289143000000 0.163025000000 0.083679000000 0.045200000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
33.295900000000 10.370900000000 6.707870000000 4.204220000000 3.343700000000 1.702380000000 0.884264000000 0.606094000000 0.318395000000 0.155941000000 0.063966000000 0.029537000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
10.862900000000 7.230950000000 5.742730000000 3.073920000000 1.815710000000 1.509920000000 0.831847000000 0.397196000000 0.210772000000 0.099677000000 0.052464000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
9.759760000000 6.525860000000 5.506080000000 2.940080000000 1.916670000000 0.974106000000 0.480540000000 0.230845000000 0.132911000000 0.081632000000
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
16.378500000000 8.376860000000 4.917020000000 3.253090000000 1.914600000000 1.034360000000 0.443127000000 0.364212000000 0.194477000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6.921080000000 5.154450000000 2.908530000000 1.880900000000 0.998158000000 0.462229000000
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
4.892430000000 3.370610000000 1.922170000000 0.953870000000
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
Pd: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
82.325100000000 21.107900000000 8.373130000000 5.754780000000 4.599110000000 3.267800000000 1.757020000000 1.037580000000 0.606969000000 0.425904000000 0.201518000000 0.096773000000 0.046482000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
81.865400000000 29.286600000000 8.844550000000 6.603650000000 4.974000000000 3.424630000000 2.191160000000 1.230990000000 0.610495000000 0.356466000000 0.156279000000 0.082620000000 0.045735000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
27.935500000000 9.732050000000 6.816260000000 5.201180000000 3.392290000000 1.779120000000 1.221690000000 0.713720000000 0.349730000000 0.203174000000 0.087626000000 0.039893000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
11.731400000000 6.857080000000 5.827980000000 3.857520000000 2.127840000000 1.542220000000 0.742065000000 0.428960000000 0.194979000000 0.101174000000 0.052542000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
16.750100000000 10.039800000000 6.975690000000 4.423310000000 2.999630000000 1.982710000000 1.257620000000 0.698627000000 0.320211000000 0.153065000000 0.078871000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
12.832700000000 7.484480000000 4.747560000000 2.965880000000 1.844290000000 1.016640000000 0.617876000000 0.311378000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
10.862500000000 4.670460000000 4.154050000000 2.325840000000 1.194290000000 0.583186000000
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
5.146210000000 3.993510000000 2.127190000000 1.071400000000
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
Pd: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
78.165000000000 19.456700000000 11.604500000000 6.896330000000 4.621100000000 2.981670000000 1.865350000000 1.212910000000 0.863348000000 0.544294000000 0.316066000000 0.182062000000 0.078647000000 0.048037000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
61.707800000000 14.080000000000 10.498500000000 7.853180000000 6.011480000000 3.165460000000 2.037300000000 1.378810000000 0.957867000000 0.550145000000 0.278546000000 0.136101000000 0.063647000000 0.041115000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
30.973600000000 11.217100000000 8.238890000000 6.167210000000 3.990830000000 2.268580000000 1.418960000000 1.075160000000 0.639905000000 0.360910000000 0.221105000000 0.110059000000 0.068896000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
12.596100000000 8.455910000000 6.327140000000 3.932420000000 2.610960000000 1.717440000000 1.096060000000 0.649820000000 0.397137000000 0.198129000000 0.101300000000 0.051808000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
14.480500000000 10.105500000000 5.650760000000 4.001680000000 2.639440000000 1.818190000000 1.086940000000 0.794550000000 0.452601000000 0.252142000000 0.144940000000 0.083353000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
19.880300000000 10.903300000000 6.238820000000 4.098120000000 3.110010000000 2.003710000000 1.232480000000 0.573211000000 0.270899000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.064830000000 5.727970000000 3.342190000000 2.394650000000 1.556370000000 0.841203000000 0.408600000000
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
5.451660000000 4.199460000000 2.897710000000 1.391970000000 0.687811000000
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
6.129580000000 4.985120000000 2.672440000000 1.475160000000
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
Pd: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
7.727425560000 5.151617010000 3.362731270000 2.082316580000 0.904510800000 0.437520870000 0.346261070000 0.125947230000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
20.041396270000 4.362788240000 2.751803410000 1.719877130000 0.662282290000 0.413926430000 0.147635990000
-0.032175520000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.160510520000 0.000000000000 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
5.282093910000 3.440864340000 1.855218790000 0.745889890000 0.422181130000 0.209673300000
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
8.552343820000 2.904237090000 1.795849910000 0.568790790000 0.218773680000
-0.254376720000 0.000000000000 0.000000000000
3.011295880000 0.000000000000 0.000000000000
-0.142167060000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
4.071444780000 2.531566890000 0.876436820000 0.381624450000
0.901067350000 0.000000000000
1.990001020000 0.000000000000
0.181690480000 0.000000000000
0.000000000000 1.000000000000
Pd: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
7.668600000000 4.612050000000 3.180340000000 1.853740000000 0.670034000000 0.265686000000 0.136289000000 0.077219900000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
15.177400000000 5.145650000000 2.808090000000 1.865060000000 0.493183000000 0.331357000000 0.141754000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
6.179490000000 3.209620000000 1.649800000000 0.902695000000 0.348997000000 0.192927000000
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
4.166080000000 3.050430000000 1.298920000000 0.521178000000 0.200977000000
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
4.355920000000 2.254030000000 0.370181000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.243690000000
1.000000000000
Pd: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
7.528230000000 4.084290000000 2.771060000000 1.730180000000 0.761457000000 0.269541000000 0.130652000000 0.046759400000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
8.614020000000 6.498240000000 3.730950000000 1.377330000000 0.802828000000 0.328773000000 0.227466000000
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
4.516120000000 4.010550000000 1.797140000000 1.006470000000 0.345010000000 0.186975000000
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
5.533360000000 3.132050000000 1.408280000000 0.649668000000 0.302173000000
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
2.845230000000 1.104470000000 0.391370000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.867830000000 1.629250000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Pd: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
9.372840000000 4.676060000000 2.756740000000 1.625220000000 0.761227000000 0.406258000000 0.203536000000 0.114753000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
9.273220000000 5.004400000000 2.702340000000 1.988850000000 0.660124000000 0.259920000000 0.153852000000
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
4.985110000000 4.005770000000 1.795180000000 1.064860000000 0.481897000000 0.250883000000
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
4.914900000000 3.598110000000 1.631150000000 0.786040000000 0.314349000000
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
3.321740000000 1.878920000000 0.736642000000 0.378583000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.780700000000 2.206500000000 1.070970000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.321360000000
1.000000000000
Pd: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
5.203800000000 4.436130000000 3.911930000000 2.589060000000 1.292180000000 0.648569000000 0.341883000000 0.144598000000 0.080353800000 0.043299400000
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
8.840830000000 5.850090000000 3.603650000000 1.785270000000 1.110370000000 0.502089000000 0.256906000000 0.139478000000 0.048160600000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.693310000000 6.135930000000 4.027000000000 2.180050000000 1.047110000000 0.544168000000 0.317717000000 0.167311000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
7.364490000000 4.923620000000 2.666900000000 1.389130000000 0.664737000000 0.313603000000 0.188201000000
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
4.127160000000 2.956260000000 1.191190000000 0.637792000000 0.252551000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.326080000000 3.535980000000 1.829460000000 0.822234000000 0.312938000000
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
3.677240000000 1.344290000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Pd: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
7.668600000000 4.612050000000 3.180340000000 1.853740000000 0.670034000000 0.265686000000 0.136289000000 0.077219900000 0.029999700000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
15.177400000000 5.145650000000 2.808090000000 1.865060000000 0.493183000000 0.331357000000 0.141754000000 0.064629700000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
6.179490000000 3.209620000000 1.649800000000 0.902695000000 0.348997000000 0.192927000000 0.080007000000
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
4.166080000000 3.050430000000 1.298920000000 0.521178000000 0.200977000000
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
4.355920000000 2.254030000000 0.370181000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.243690000000
1.000000000000
Pd: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
7.528230000000 4.084290000000 2.771060000000 1.730180000000 0.761457000000 0.269541000000 0.130652000000 0.046759400000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
8.614020000000 6.498240000000 3.730950000000 1.377330000000 0.802828000000 0.328773000000 0.227466000000
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
4.516120000000 4.010550000000 1.797140000000 1.006470000000 0.345010000000 0.186975000000
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
5.533360000000 3.132050000000 1.408280000000 0.649668000000 0.302173000000
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
2.845230000000 1.104470000000 0.391370000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.867830000000 1.629250000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Pd: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
9.372840000000 4.676060000000 2.756740000000 1.625220000000 0.761227000000 0.406258000000 0.203536000000 0.114753000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
9.273220000000 5.004400000000 2.702340000000 1.988850000000 0.660124000000 0.259920000000 0.153852000000
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
4.985110000000 4.005770000000 1.795180000000 1.064860000000 0.481897000000 0.250883000000
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
4.914900000000 3.598110000000 1.631150000000 0.786040000000 0.314349000000
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
3.321740000000 1.878920000000 0.736642000000 0.378583000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.780700000000 2.206500000000 1.070970000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.321360000000
1.000000000000
Pd: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
5.203800000000 4.436130000000 3.911930000000 2.589060000000 1.292180000000 0.648569000000 0.341883000000 0.144598000000 0.080353800000 0.043299400000
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
8.840830000000 5.850090000000 3.603650000000 1.785270000000 1.110370000000 0.502089000000 0.256906000000 0.139478000000 0.048160600000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.693310000000 6.135930000000 4.027000000000 2.180050000000 1.047110000000 0.544168000000 0.317717000000 0.167311000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
7.364490000000 4.923620000000 2.666900000000 1.389130000000 0.664737000000 0.313603000000 0.188201000000
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
4.127160000000 2.956260000000 1.191190000000 0.637792000000 0.252551000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.326080000000 3.535980000000 1.829460000000 0.822234000000 0.312938000000
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
3.677240000000 1.344290000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Pd: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
37.955322200000 23.421123800000 14.452750100000 8.918673000000 5.503718800000 3.396391500000 2.095965000000 1.293464000000 0.798229900000 0.492611100000 0.304006100000 0.187612300000 0.115782000000
0.034618844200 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.185250377300 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.198550297000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.961801233600 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
61.868317100000 34.359567900000 19.082496100000 10.598146500000 5.886146200000 3.269171600000 1.815720800000 1.008473000000 0.560121800000 0.311102000000 0.172792300000 0.095972400000
0.054165888500 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.266058366200 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.606823152400 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.747023871100 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 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
20.533775400000 11.403882200000 6.333526100000 3.517597500000 1.953679300000 1.085090000000 0.602674000000 0.334735700000 0.185918900000 0.103263200000
0.078198698100 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.063265823900 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.994928338700 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
22.745316700000 11.483810300000 6.093912900000 3.076858700000 1.478150000000 0.746347900000 0.396072400000 0.199987700000 0.106130300000
0.210704025700 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.965220997000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.154765114100 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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
8.452923200000 4.310563900000 2.176457400000 1.098939100000 0.554883100000 0.282977700000
0.049739639400 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.610704022100 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.790295239500 0.000000000000 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
5.321662776100 2.159214713400 0.876081100000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
3.801697703500 1.141937200000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Pd: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
51.021180300000 17.654386700000 10.384933000000 6.231570400000 3.665629500000 2.199593300000 1.268383900000 0.746108100000 0.447708700000 0.258168900000 0.151864000000
0.053881100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-1.360859900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
5.932286300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-7.865968600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -1.321587200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 4.173531100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 2.268913300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.671248000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.336706900000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.089629500000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.038063800000
5.699967600000 2.515537400000 1.122952400000 0.504780800000 0.227432500000
0.014142600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.056934300000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.073264700000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 -0.002135900000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.023387500000
3.800600200000 1.588269200000 0.655015700000 0.268021000000 0.109384300000
0.001229900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.048599200000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.004135500000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.003165000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.000631500000
2.010618500000 0.826846000000 0.345125300000
-0.015020500000 0.000000000000
0.010533000000 0.000000000000
0.000000000000 0.002727500000
7.537507200000 2.766434900000 1.013346200000
0.004700600000 0.000000000000 0.000000000000
0.000000000000 0.034013100000 0.000000000000
0.000000000000 0.000000000000 0.009746300000
Pd:def2-ECP-28
Stuttgart-Koeln ECP
*
NCORE = 28 LMAX =3
f-ul
-31.929554310000 2 13.270000000000
-5.398216940000 2 6.630000000000
s-ul
240.229040330000 2 12.430000000000
35.171943470000 2 6.170759400000
31.929554310000 2 13.270000000000
5.398216940000 2 6.630000000000
p-ul
170.417276050000 2 11.080000000000
28.472132870000 2 5.829554100000
31.929554310000 2 13.270000000000
5.398216940000 2 6.630000000000
d-ul
69.013844880000 2 9.510000000000
11.750861580000 2 4.139781100000
31.929554310000 2 13.270000000000
5.398216940000 2 6.630000000000
*
Pd:LANL2DZ-ECP-28
LANL2DZ ECP
*
NCORE = 28 LMAX =3
f-ul
-0.056317700000 0 598.333644400000
-20.128803600000 1 162.429829000000
-105.819792300000 2 51.571477100000
-42.573334500000 2 16.488826000000
-3.616508600000 2 5.828765600000
s-ul
3.000365100000 0 73.380630400000
32.435009300000 1 14.755043800000
459.083038300000 2 17.835020400000
-868.062902900000 2 12.711147700000
514.472609800000 2 9.329206300000
p-ul
4.959309900000 0 55.668987700000
21.171102900000 1 64.233777100000
605.056009200000 2 17.625495200000
-726.964184600000 2 11.905815500000
396.327488300000 2 8.510083200000
d-ul
3.050874500000 0 49.999472800000
22.250658000000 1 39.747754700000
674.835769800000 2 11.432136600000
-1040.855404800000 2 9.179008000000
505.937514700000 2 7.562442900000
*
Pd:MCDHF-ECP-28
Stuttgart-Koeln MCDFH ECP
*
NCORE = 28 LMAX =4
g-ul
0.000000000000 2 1.000000000000
s-ul
240.262789000000 2 12.798825000000
34.729961000000 2 5.800528000000
p-ul
56.746929000000 2 11.874697000000
113.444417000000 2 11.474335000000
9.345639000000 2 5.515999000000
18.345447000000 2 5.248043000000
d-ul
28.595554000000 2 8.502212000000
43.453921000000 2 7.983324000000
1.852286000000 2 3.107628000000
1.406765000000 2 2.476734000000
f-ul
-10.987255000000 2 9.679571000000
-14.626190000000 2 9.691349000000
*
Reference in New Issue View Git Blame Copy Permalink