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0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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 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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 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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 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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 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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 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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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 *