# all_value

name: U500
elt: Hs
data:
HASSIUM
S   1
  1 134217728.000000000         1.0000000        
S   1
  1 67108864.000000000          1.0000000        
S   1
  1 33554432.000000000          1.0000000        
S   1
  1 16777216.000000000          1.0000000        
S   1
  1 8388608.000000000           1.0000000        
S   1
  1 4194304.000000000           1.0000000        
S   1
  1 2097152.000000000           1.0000000        
S   1
  1 1048576.000000000           1.0000000        
S   1
  1 524288.000000000            1.0000000        
S   1
  1 262144.000000000            1.0000000        
S   1
  1 131072.000000000            1.0000000        
S   1
  1  65536.000000000            1.0000000        
S   1
  1  32768.000000000            1.0000000        
S   1
  1  16384.000000000            1.0000000        
S   1
  1   8192.000000000            1.0000000        
S   1
  1   4096.000000000            1.0000000        
S   1
  1   2048.000000000            1.0000000        
S   1
  1   1024.000000000            1.0000000        
S   1
  1    512.000000000            1.0000000        
S   1
  1    256.000000000            1.0000000        
S   1
  1    128.000000000            1.0000000        
S   1
  1     64.000000000            1.0000000        
S   1
  1     32.000000000            1.0000000        
S   1
  1     16.000000000            1.0000000        
S   1
  1      8.000000000            1.0000000        
S   1
  1      4.000000000            1.0000000        
S   1
  1      2.000000000            1.0000000        
S   1
  1      1.000000000            1.0000000        
S   1
  1      0.500000000            1.0000000        
S   1
  1      0.250000000            1.0000000        
S   1
  1      0.125000000            1.0000000        
S   1
  1      0.062500000            1.0000000        
S   1
  1      0.031250000            1.0000000        
S   1
  1      0.015625000            1.0000000        
S   1
  1      0.007812500            1.0000000        
S   1
  1      0.003906250            1.0000000        
S   1
  1      0.001953125            1.0000000        
P   1
  1 67108864.000000000          1.0000000        
P   1
  1 33554432.000000000          1.0000000        
P   1
  1 16777216.000000000          1.0000000        
P   1
  1 8388608.000000000           1.0000000        
P   1
  1 4194304.000000000           1.0000000        
P   1
  1 2097152.000000000           1.0000000        
P   1
  1 1048576.000000000           1.0000000        
P   1
  1 524288.000000000            1.0000000        
P   1
  1 262144.000000000            1.0000000        
P   1
  1 131072.000000000            1.0000000        
P   1
  1  65536.000000000            1.0000000        
P   1
  1  32768.000000000            1.0000000        
P   1
  1  16384.000000000            1.0000000        
P   1
  1   8192.000000000            1.0000000        
P   1
  1   4096.000000000            1.0000000        
P   1
  1   2048.000000000            1.0000000        
P   1
  1   1024.000000000            1.0000000        
P   1
  1    512.000000000            1.0000000        
P   1
  1    256.000000000            1.0000000        
P   1
  1    128.000000000            1.0000000        
P   1
  1     64.000000000            1.0000000        
P   1
  1     32.000000000            1.0000000        
P   1
  1     16.000000000            1.0000000        
P   1
  1      8.000000000            1.0000000        
P   1
  1      4.000000000            1.0000000        
P   1
  1      2.000000000            1.0000000        
P   1
  1      1.000000000            1.0000000        
P   1
  1      0.500000000            1.0000000        
P   1
  1      0.250000000            1.0000000        
P   1
  1      0.125000000            1.0000000        
P   1
  1      0.062500000            1.0000000        
P   1
  1      0.031250000            1.0000000        
P   1
  1      0.015625000            1.0000000        
P   1
  1      0.007812500            1.0000000        
P   1
  1      0.003906250            1.0000000        
P   1
  1      0.001953125            1.0000000        
D   1
  1 131072.0000000              1.0000000        
D   1
  1  65536.0000000              1.0000000        
D   1
  1  32768.0000000              1.0000000        
D   1
  1  16384.0000000              1.0000000        
D   1
  1   8192.0000000              1.0000000        
D   1
  1   4096.0000000              1.0000000        
D   1
  1   2048.0000000              1.0000000        
D   1
  1   1024.0000000              1.0000000        
D   1
  1    512.0000000              1.0000000        
D   1
  1    256.0000000              1.0000000        
D   1
  1    128.0000000              1.0000000        
D   1
  1     64.0000000              1.0000000        
D   1
  1     32.0000000              1.0000000        
D   1
  1     16.0000000              1.0000000        
D   1
  1      8.0000000              1.0000000        
D   1
  1      4.0000000              1.0000000        
D   1
  1      2.0000000              1.0000000        
D   1
  1      1.0000000              1.0000000        
D   1
  1      0.5000000              1.0000000        
D   1
  1      0.2500000              1.0000000        
D   1
  1      0.1250000              1.0000000        
D   1
  1      0.0625000              1.0000000        
D   1
  1      0.0312500              1.0000000        
D   1
  1      0.0156250              1.0000000        
F   1
  1   4096.0000000              1.0000000        
F   1
  1   2048.0000000              1.0000000        
F   1
  1   1024.0000000              1.0000000        
F   1
  1    512.0000000              1.0000000        
F   1
  1    256.0000000              1.0000000        
F   1
  1    128.0000000              1.0000000        
F   1
  1     64.0000000              1.0000000        
F   1
  1     32.0000000              1.0000000        
F   1
  1     16.0000000              1.0000000        
F   1
  1      8.0000000              1.0000000        
F   1
  1      4.0000000              1.0000000        
F   1
  1      2.0000000              1.0000000        
F   1
  1      1.0000000              1.0000000        
F   1
  1      0.5000000              1.0000000        
F   1
  1      0.2500000              1.0000000        
F   1
  1      0.1250000              1.0000000        
F   1
  1      0.0625000              1.0000000        
G   1
  1     16.0000000              1.0000000        
G   1
  1      8.0000000              1.0000000        
G   1
  1      4.0000000              1.0000000        
G   1
  1      2.0000000              1.0000000        
G   1
  1      1.0000000              1.0000000        
G   1
  1      0.5000000              1.0000000        
G   1
  1      0.2500000              1.0000000        
G   1
  1      0.1250000              1.0000000        
H   1
  1      2.0000000              1.0000000        
H   1
  1      1.0000000              1.0000000        
H   1
  1      0.5000000              1.0000000        
H   1
  1      0.2500000              1.0000000        


name: U500
elt: Mt
data:
MEITNERIUM
S   1
  1 134217728.000000000         1.0000000        
S   1
  1 67108864.000000000          1.0000000        
S   1
  1 33554432.000000000          1.0000000        
S   1
  1 16777216.000000000          1.0000000        
S   1
  1 8388608.000000000           1.0000000        
S   1
  1 4194304.000000000           1.0000000        
S   1
  1 2097152.000000000           1.0000000        
S   1
  1 1048576.000000000           1.0000000        
S   1
  1 524288.000000000            1.0000000        
S   1
  1 262144.000000000            1.0000000        
S   1
  1 131072.000000000            1.0000000        
S   1
  1  65536.000000000            1.0000000        
S   1
  1  32768.000000000            1.0000000        
S   1
  1  16384.000000000            1.0000000        
S   1
  1   8192.000000000            1.0000000        
S   1
  1   4096.000000000            1.0000000        
S   1
  1   2048.000000000            1.0000000        
S   1
  1   1024.000000000            1.0000000        
S   1
  1    512.000000000            1.0000000        
S   1
  1    256.000000000            1.0000000        
S   1
  1    128.000000000            1.0000000        
S   1
  1     64.000000000            1.0000000        
S   1
  1     32.000000000            1.0000000        
S   1
  1     16.000000000            1.0000000        
S   1
  1      8.000000000            1.0000000        
S   1
  1      4.000000000            1.0000000        
S   1
  1      2.000000000            1.0000000        
S   1
  1      1.000000000            1.0000000        
S   1
  1      0.500000000            1.0000000        
S   1
  1      0.250000000            1.0000000        
S   1
  1      0.125000000            1.0000000        
S   1
  1      0.062500000            1.0000000        
S   1
  1      0.031250000            1.0000000        
S   1
  1      0.015625000            1.0000000        
S   1
  1      0.007812500            1.0000000        
S   1
  1      0.003906250            1.0000000        
S   1
  1      0.001953125            1.0000000        
P   1
  1 67108864.000000000          1.0000000        
P   1
  1 33554432.000000000          1.0000000        
P   1
  1 16777216.000000000          1.0000000        
P   1
  1 8388608.000000000           1.0000000        
P   1
  1 4194304.000000000           1.0000000        
P   1
  1 2097152.000000000           1.0000000        
P   1
  1 1048576.000000000           1.0000000        
P   1
  1 524288.000000000            1.0000000        
P   1
  1 262144.000000000            1.0000000        
P   1
  1 131072.000000000            1.0000000        
P   1
  1  65536.000000000            1.0000000        
P   1
  1  32768.000000000            1.0000000        
P   1
  1  16384.000000000            1.0000000        
P   1
  1   8192.000000000            1.0000000        
P   1
  1   4096.000000000            1.0000000        
P   1
  1   2048.000000000            1.0000000        
P   1
  1   1024.000000000            1.0000000        
P   1
  1    512.000000000            1.0000000        
P   1
  1    256.000000000            1.0000000        
P   1
  1    128.000000000            1.0000000        
P   1
  1     64.000000000            1.0000000        
P   1
  1     32.000000000            1.0000000        
P   1
  1     16.000000000            1.0000000        
P   1
  1      8.000000000            1.0000000        
P   1
  1      4.000000000            1.0000000        
P   1
  1      2.000000000            1.0000000        
P   1
  1      1.000000000            1.0000000        
P   1
  1      0.500000000            1.0000000        
P   1
  1      0.250000000            1.0000000        
P   1
  1      0.125000000            1.0000000        
P   1
  1      0.062500000            1.0000000        
P   1
  1      0.031250000            1.0000000        
P   1
  1      0.015625000            1.0000000        
P   1
  1      0.007812500            1.0000000        
P   1
  1      0.003906250            1.0000000        
P   1
  1      0.001953125            1.0000000        
D   1
  1 131072.0000000              1.0000000        
D   1
  1  65536.0000000              1.0000000        
D   1
  1  32768.0000000              1.0000000        
D   1
  1  16384.0000000              1.0000000        
D   1
  1   8192.0000000              1.0000000        
D   1
  1   4096.0000000              1.0000000        
D   1
  1   2048.0000000              1.0000000        
D   1
  1   1024.0000000              1.0000000        
D   1
  1    512.0000000              1.0000000        
D   1
  1    256.0000000              1.0000000        
D   1
  1    128.0000000              1.0000000        
D   1
  1     64.0000000              1.0000000        
D   1
  1     32.0000000              1.0000000        
D   1
  1     16.0000000              1.0000000        
D   1
  1      8.0000000              1.0000000        
D   1
  1      4.0000000              1.0000000        
D   1
  1      2.0000000              1.0000000        
D   1
  1      1.0000000              1.0000000        
D   1
  1      0.5000000              1.0000000        
D   1
  1      0.2500000              1.0000000        
D   1
  1      0.1250000              1.0000000        
D   1
  1      0.0625000              1.0000000        
D   1
  1      0.0312500              1.0000000        
D   1
  1      0.0156250              1.0000000        
F   1
  1   4096.0000000              1.0000000        
F   1
  1   2048.0000000              1.0000000        
F   1
  1   1024.0000000              1.0000000        
F   1
  1    512.0000000              1.0000000        
F   1
  1    256.0000000              1.0000000        
F   1
  1    128.0000000              1.0000000        
F   1
  1     64.0000000              1.0000000        
F   1
  1     32.0000000              1.0000000        
F   1
  1     16.0000000              1.0000000        
F   1
  1      8.0000000              1.0000000        
F   1
  1      4.0000000              1.0000000        
F   1
  1      2.0000000              1.0000000        
F   1
  1      1.0000000              1.0000000        
F   1
  1      0.5000000              1.0000000        
F   1
  1      0.2500000              1.0000000        
F   1
  1      0.1250000              1.0000000        
F   1
  1      0.0625000              1.0000000        
G   1
  1     16.0000000              1.0000000        
G   1
  1      8.0000000              1.0000000        
G   1
  1      4.0000000              1.0000000        
G   1
  1      2.0000000              1.0000000        
G   1
  1      1.0000000              1.0000000        
G   1
  1      0.5000000              1.0000000        
G   1
  1      0.2500000              1.0000000        
G   1
  1      0.1250000              1.0000000        
H   1
  1      2.0000000              1.0000000        
H   1
  1      1.0000000              1.0000000        
H   1
  1      0.5000000              1.0000000        
H   1
  1      0.2500000              1.0000000        


name: U500
elt: Uun
data:
UNUNNILIUM
S   1
  1 134217728.000000000         1.0000000        
S   1
  1 67108864.000000000          1.0000000        
S   1
  1 33554432.000000000          1.0000000        
S   1
  1 16777216.000000000          1.0000000        
S   1
  1 8388608.000000000           1.0000000        
S   1
  1 4194304.000000000           1.0000000        
S   1
  1 2097152.000000000           1.0000000        
S   1
  1 1048576.000000000           1.0000000        
S   1
  1 524288.000000000            1.0000000        
S   1
  1 262144.000000000            1.0000000        
S   1
  1 131072.000000000            1.0000000        
S   1
  1  65536.000000000            1.0000000        
S   1
  1  32768.000000000            1.0000000        
S   1
  1  16384.000000000            1.0000000        
S   1
  1   8192.000000000            1.0000000        
S   1
  1   4096.000000000            1.0000000        
S   1
  1   2048.000000000            1.0000000        
S   1
  1   1024.000000000            1.0000000        
S   1
  1    512.000000000            1.0000000        
S   1
  1    256.000000000            1.0000000        
S   1
  1    128.000000000            1.0000000        
S   1
  1     64.000000000            1.0000000        
S   1
  1     32.000000000            1.0000000        
S   1
  1     16.000000000            1.0000000        
S   1
  1      8.000000000            1.0000000        
S   1
  1      4.000000000            1.0000000        
S   1
  1      2.000000000            1.0000000        
S   1
  1      1.000000000            1.0000000        
S   1
  1      0.500000000            1.0000000        
S   1
  1      0.250000000            1.0000000        
S   1
  1      0.125000000            1.0000000        
S   1
  1      0.062500000            1.0000000        
S   1
  1      0.031250000            1.0000000        
S   1
  1      0.015625000            1.0000000        
S   1
  1      0.007812500            1.0000000        
S   1
  1      0.003906250            1.0000000        
S   1
  1      0.001953125            1.0000000        
P   1
  1 67108864.000000000          1.0000000        
P   1
  1 33554432.000000000          1.0000000        
P   1
  1 16777216.000000000          1.0000000        
P   1
  1 8388608.000000000           1.0000000        
P   1
  1 4194304.000000000           1.0000000        
P   1
  1 2097152.000000000           1.0000000        
P   1
  1 1048576.000000000           1.0000000        
P   1
  1 524288.000000000            1.0000000        
P   1
  1 262144.000000000            1.0000000        
P   1
  1 131072.000000000            1.0000000        
P   1
  1  65536.000000000            1.0000000        
P   1
  1  32768.000000000            1.0000000        
P   1
  1  16384.000000000            1.0000000        
P   1
  1   8192.000000000            1.0000000        
P   1
  1   4096.000000000            1.0000000        
P   1
  1   2048.000000000            1.0000000        
P   1
  1   1024.000000000            1.0000000        
P   1
  1    512.000000000            1.0000000        
P   1
  1    256.000000000            1.0000000        
P   1
  1    128.000000000            1.0000000        
P   1
  1     64.000000000            1.0000000        
P   1
  1     32.000000000            1.0000000        
P   1
  1     16.000000000            1.0000000        
P   1
  1      8.000000000            1.0000000        
P   1
  1      4.000000000            1.0000000        
P   1
  1      2.000000000            1.0000000        
P   1
  1      1.000000000            1.0000000        
P   1
  1      0.500000000            1.0000000        
P   1
  1      0.250000000            1.0000000        
P   1
  1      0.125000000            1.0000000        
P   1
  1      0.062500000            1.0000000        
P   1
  1      0.031250000            1.0000000        
P   1
  1      0.015625000            1.0000000        
P   1
  1      0.007812500            1.0000000        
P   1
  1      0.003906250            1.0000000        
P   1
  1      0.001953125            1.0000000        
D   1
  1 131072.0000000              1.0000000        
D   1
  1  65536.0000000              1.0000000        
D   1
  1  32768.0000000              1.0000000        
D   1
  1  16384.0000000              1.0000000        
D   1
  1   8192.0000000              1.0000000        
D   1
  1   4096.0000000              1.0000000        
D   1
  1   2048.0000000              1.0000000        
D   1
  1   1024.0000000              1.0000000        
D   1
  1    512.0000000              1.0000000        
D   1
  1    256.0000000              1.0000000        
D   1
  1    128.0000000              1.0000000        
D   1
  1     64.0000000              1.0000000        
D   1
  1     32.0000000              1.0000000        
D   1
  1     16.0000000              1.0000000        
D   1
  1      8.0000000              1.0000000        
D   1
  1      4.0000000              1.0000000        
D   1
  1      2.0000000              1.0000000        
D   1
  1      1.0000000              1.0000000        
D   1
  1      0.5000000              1.0000000        
D   1
  1      0.2500000              1.0000000        
D   1
  1      0.1250000              1.0000000        
D   1
  1      0.0625000              1.0000000        
D   1
  1      0.0312500              1.0000000        
D   1
  1      0.0156250              1.0000000        
F   1
  1   4096.0000000              1.0000000        
F   1
  1   2048.0000000              1.0000000        
F   1
  1   1024.0000000              1.0000000        
F   1
  1    512.0000000              1.0000000        
F   1
  1    256.0000000              1.0000000        
F   1
  1    128.0000000              1.0000000        
F   1
  1     64.0000000              1.0000000        
F   1
  1     32.0000000              1.0000000        
F   1
  1     16.0000000              1.0000000        
F   1
  1      8.0000000              1.0000000        
F   1
  1      4.0000000              1.0000000        
F   1
  1      2.0000000              1.0000000        
F   1
  1      1.0000000              1.0000000        
F   1
  1      0.5000000              1.0000000        
F   1
  1      0.2500000              1.0000000        
F   1
  1      0.1250000              1.0000000        
F   1
  1      0.0625000              1.0000000        
G   1
  1     16.0000000              1.0000000        
G   1
  1      8.0000000              1.0000000        
G   1
  1      4.0000000              1.0000000        
G   1
  1      2.0000000              1.0000000        
G   1
  1      1.0000000              1.0000000        
G   1
  1      0.5000000              1.0000000        
G   1
  1      0.2500000              1.0000000        
G   1
  1      0.1250000              1.0000000        
H   1
  1      2.0000000              1.0000000        
H   1
  1      1.0000000              1.0000000        
H   1
  1      0.5000000              1.0000000        
H   1
  1      0.2500000              1.0000000        


name: U500
elt: Uuu
data:
UNUNUNIUM
S   1
  1 134217728.000000000         1.0000000        
S   1
  1 67108864.000000000          1.0000000        
S   1
  1 33554432.000000000          1.0000000        
S   1
  1 16777216.000000000          1.0000000        
S   1
  1 8388608.000000000           1.0000000        
S   1
  1 4194304.000000000           1.0000000        
S   1
  1 2097152.000000000           1.0000000        
S   1
  1 1048576.000000000           1.0000000        
S   1
  1 524288.000000000            1.0000000        
S   1
  1 262144.000000000            1.0000000        
S   1
  1 131072.000000000            1.0000000        
S   1
  1  65536.000000000            1.0000000        
S   1
  1  32768.000000000            1.0000000        
S   1
  1  16384.000000000            1.0000000        
S   1
  1   8192.000000000            1.0000000        
S   1
  1   4096.000000000            1.0000000        
S   1
  1   2048.000000000            1.0000000        
S   1
  1   1024.000000000            1.0000000        
S   1
  1    512.000000000            1.0000000        
S   1
  1    256.000000000            1.0000000        
S   1
  1    128.000000000            1.0000000        
S   1
  1     64.000000000            1.0000000        
S   1
  1     32.000000000            1.0000000        
S   1
  1     16.000000000            1.0000000        
S   1
  1      8.000000000            1.0000000        
S   1
  1      4.000000000            1.0000000        
S   1
  1      2.000000000            1.0000000        
S   1
  1      1.000000000            1.0000000        
S   1
  1      0.500000000            1.0000000        
S   1
  1      0.250000000            1.0000000        
S   1
  1      0.125000000            1.0000000        
S   1
  1      0.062500000            1.0000000        
S   1
  1      0.031250000            1.0000000        
S   1
  1      0.015625000            1.0000000        
S   1
  1      0.007812500            1.0000000        
S   1
  1      0.003906250            1.0000000        
S   1
  1      0.001953125            1.0000000        
P   1
  1 67108864.000000000          1.0000000        
P   1
  1 33554432.000000000          1.0000000        
P   1
  1 16777216.000000000          1.0000000        
P   1
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name: U500
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name: U500
elt: Uuo
data:
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  1 33554432.000000000          1.0000000        
S   1
  1 16777216.000000000          1.0000000        
S   1
  1 8388608.000000000           1.0000000        
S   1
  1 4194304.000000000           1.0000000        
S   1
  1 2097152.000000000           1.0000000        
S   1
  1 1048576.000000000           1.0000000        
S   1
  1 524288.000000000            1.0000000        
S   1
  1 262144.000000000            1.0000000        
S   1
  1 131072.000000000            1.0000000        
S   1
  1  65536.000000000            1.0000000        
S   1
  1  32768.000000000            1.0000000        
S   1
  1  16384.000000000            1.0000000        
S   1
  1   8192.000000000            1.0000000        
S   1
  1   4096.000000000            1.0000000        
S   1
  1   2048.000000000            1.0000000        
S   1
  1   1024.000000000            1.0000000        
S   1
  1    512.000000000            1.0000000        
S   1
  1    256.000000000            1.0000000        
S   1
  1    128.000000000            1.0000000        
S   1
  1     64.000000000            1.0000000        
S   1
  1     32.000000000            1.0000000        
S   1
  1     16.000000000            1.0000000        
S   1
  1      8.000000000            1.0000000        
S   1
  1      4.000000000            1.0000000        
S   1
  1      2.000000000            1.0000000        
S   1
  1      1.000000000            1.0000000        
S   1
  1      0.500000000            1.0000000        
S   1
  1      0.250000000            1.0000000        
S   1
  1      0.125000000            1.0000000        
S   1
  1      0.062500000            1.0000000        
S   1
  1      0.031250000            1.0000000        
S   1
  1      0.015625000            1.0000000        
S   1
  1      0.007812500            1.0000000        
S   1
  1      0.003906250            1.0000000        
S   1
  1      0.001953125            1.0000000        
P   1
  1 67108864.000000000          1.0000000        
P   1
  1 33554432.000000000          1.0000000        
P   1
  1 16777216.000000000          1.0000000        
P   1
  1 8388608.000000000           1.0000000        
P   1
  1 4194304.000000000           1.0000000        
P   1
  1 2097152.000000000           1.0000000        
P   1
  1 1048576.000000000           1.0000000        
P   1
  1 524288.000000000            1.0000000        
P   1
  1 262144.000000000            1.0000000        
P   1
  1 131072.000000000            1.0000000        
P   1
  1  65536.000000000            1.0000000        
P   1
  1  32768.000000000            1.0000000        
P   1
  1  16384.000000000            1.0000000        
P   1
  1   8192.000000000            1.0000000        
P   1
  1   4096.000000000            1.0000000        
P   1
  1   2048.000000000            1.0000000        
P   1
  1   1024.000000000            1.0000000        
P   1
  1    512.000000000            1.0000000        
P   1
  1    256.000000000            1.0000000        
P   1
  1    128.000000000            1.0000000        
P   1
  1     64.000000000            1.0000000        
P   1
  1     32.000000000            1.0000000        
P   1
  1     16.000000000            1.0000000        
P   1
  1      8.000000000            1.0000000        
P   1
  1      4.000000000            1.0000000        
P   1
  1      2.000000000            1.0000000        
P   1
  1      1.000000000            1.0000000        
P   1
  1      0.500000000            1.0000000        
P   1
  1      0.250000000            1.0000000        
P   1
  1      0.125000000            1.0000000        
P   1
  1      0.062500000            1.0000000        
P   1
  1      0.031250000            1.0000000        
P   1
  1      0.015625000            1.0000000        
P   1
  1      0.007812500            1.0000000        
P   1
  1      0.003906250            1.0000000        
P   1
  1      0.001953125            1.0000000        
D   1
  1 131072.0000000              1.0000000        
D   1
  1  65536.0000000              1.0000000        
D   1
  1  32768.0000000              1.0000000        
D   1
  1  16384.0000000              1.0000000        
D   1
  1   8192.0000000              1.0000000        
D   1
  1   4096.0000000              1.0000000        
D   1
  1   2048.0000000              1.0000000        
D   1
  1   1024.0000000              1.0000000        
D   1
  1    512.0000000              1.0000000        
D   1
  1    256.0000000              1.0000000        
D   1
  1    128.0000000              1.0000000        
D   1
  1     64.0000000              1.0000000        
D   1
  1     32.0000000              1.0000000        
D   1
  1     16.0000000              1.0000000        
D   1
  1      8.0000000              1.0000000        
D   1
  1      4.0000000              1.0000000        
D   1
  1      2.0000000              1.0000000        
D   1
  1      1.0000000              1.0000000        
D   1
  1      0.5000000              1.0000000        
D   1
  1      0.2500000              1.0000000        
D   1
  1      0.1250000              1.0000000        
D   1
  1      0.0625000              1.0000000        
D   1
  1      0.0312500              1.0000000        
D   1
  1      0.0156250              1.0000000        
F   1
  1   4096.0000000              1.0000000        
F   1
  1   2048.0000000              1.0000000        
F   1
  1   1024.0000000              1.0000000        
F   1
  1    512.0000000              1.0000000        
F   1
  1    256.0000000              1.0000000        
F   1
  1    128.0000000              1.0000000        
F   1
  1     64.0000000              1.0000000        
F   1
  1     32.0000000              1.0000000        
F   1
  1     16.0000000              1.0000000        
F   1
  1      8.0000000              1.0000000        
F   1
  1      4.0000000              1.0000000        
F   1
  1      2.0000000              1.0000000        
F   1
  1      1.0000000              1.0000000        
F   1
  1      0.5000000              1.0000000        
F   1
  1      0.2500000              1.0000000        
F   1
  1      0.1250000              1.0000000        
F   1
  1      0.0625000              1.0000000        
G   1
  1     16.0000000              1.0000000        
G   1
  1      8.0000000              1.0000000        
G   1
  1      4.0000000              1.0000000        
G   1
  1      2.0000000              1.0000000        
G   1
  1      1.0000000              1.0000000        
G   1
  1      0.5000000              1.0000000        
G   1
  1      0.2500000              1.0000000        
G   1
  1      0.1250000              1.0000000        
H   1
  1      2.0000000              1.0000000        
H   1
  1      1.0000000              1.0000000        
H   1
  1      0.5000000              1.0000000        
H   1
  1      0.2500000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Cu
data:
COPPER
S   15
  1  47481.0000000              0.0000040        
  2   7116.8600000              0.0000270        
  3   1608.2800000              0.0001340        
  4    444.8410000              0.0004460        
  5     97.8090000              0.0043380        
  6     60.8618000             -0.0247350        
  7     37.8932000              0.0783710        
  8     12.3039000             -0.2809410        
  9      7.6956800             -0.1933320        
 10      3.1305800              0.4088360        
 11      1.6195400              0.5916440        
 12      0.7971120              0.2635430        
 13      0.2678080              0.0198730        
 14      0.1479860             -0.0066020        
 15      0.0687380              0.0021730        
S   15
  1  47481.0000000             -0.0000010        
  2   7116.8600000             -0.0000060        
  3   1608.2800000             -0.0000260        
  4    444.8410000             -0.0000940        
  5     97.8090000             -0.0007680        
  6     60.8618000              0.0045070        
  7     37.8932000             -0.0150800        
  8     12.3039000              0.0597320        
  9      7.6956800              0.0367670        
 10      3.1305800             -0.0959590        
 11      1.6195400             -0.1600320        
 12      0.7971120             -0.1554120        
 13      0.2678080             -0.0152390        
 14      0.1479860              0.3122670        
 15      0.0687380              0.5241750        
S   15
  1  47481.0000000              0.0000020        
  2   7116.8600000              0.0000120        
  3   1608.2800000              0.0000700        
  4    444.8410000              0.0001910        
  5     97.8090000              0.0025150        
  6     60.8618000             -0.0127600        
  7     37.8932000              0.0384230        
  8     12.3039000             -0.1646870        
  9      7.6956800             -0.0554710        
 10      3.1305800              0.2653210        
 11      1.6195400              0.5666590        
 12      0.7971120             -0.0879790        
 13      0.2678080             -1.0200250        
 14      0.1479860             -0.3611740        
 15      0.0687380              0.2794740        
S   15
  1  47481.0000000             -0.0000040        
  2   7116.8600000             -0.0000260        
  3   1608.2800000             -0.0001680        
  4    444.8410000             -0.0003630        
  5     97.8090000             -0.0067690        
  6     60.8618000              0.0314750        
  7     37.8932000             -0.0904520        
  8     12.3039000              0.4526940        
  9      7.6956800              0.0221290        
 10      3.1305800             -1.0866650        
 11      1.6195400             -0.9286330        
 12      0.7971120              2.0446460        
 13      0.2678080              0.7991380        
 14      0.1479860             -1.9130430        
 15      0.0687380             -0.2062770        
S   15
  1  47481.0000000              0.0000060        
  2   7116.8600000              0.0000300        
  3   1608.2800000              0.0002800        
  4    444.8410000              0.0002810        
  5     97.8090000              0.0141060        
  6     60.8618000             -0.0586810        
  7     37.8932000              0.1506420        
  8     12.3039000             -0.9168870        
  9      7.6956800              0.3762410        
 10      3.1305800              2.9881220        
 11      1.6195400             -2.8563780        
 12      0.7971120             -0.8763030        
 13      0.2678080              3.8452490        
 14      0.1479860             -2.3033270        
 15      0.0687380             -1.4120390        
S   15
  1  47481.0000000              0.0000120        
  2   7116.8600000             -0.0000070        
  3   1608.2800000              0.0007130        
  4    444.8410000             -0.0013330        
  5     97.8090000              0.0577270        
  6     60.8618000             -0.2075630        
  7     37.8932000              0.3758020        
  8     12.3039000             -2.2488930        
  9      7.6956800              2.5377980        
 10      3.1305800              2.9919750        
 11      1.6195400             -7.9348760        
 12      0.7971120              6.7561770        
 13      0.2678080             -2.7589860        
 14      0.1479860             -1.2012820        
 15      0.0687380              3.4725690        
S   1
  1      0.0315880              1.0000000        
S   1
  1      0.0145000              1.0000000        
P   12
  1    994.7840000              0.0000460        
  2    233.5740000              0.0003230        
  3     49.3355000              0.0077770        
  4     24.6221000             -0.0302250        
  5     14.5861000             -0.0680470        
  6      5.1492900              0.2180790        
  7      2.7642700              0.3918760        
  8      1.4435900              0.3528230        
  9      0.7290250              0.1640360        
 10      0.3154570              0.0236590        
 11      0.1420260             -0.0008270        
 12      0.0637270              0.0009510        
P   12
  1    994.7840000              0.0000100        
  2    233.5740000              0.0000670        
  3     49.3355000              0.0016740        
  4     24.6221000             -0.0068760        
  5     14.5861000             -0.0135580        
  6      5.1492900              0.0520640        
  7      2.7642700              0.0904900        
  8      1.4435900              0.0965080        
  9      0.7290250              0.0163080        
 10      0.3154570             -0.1903600        
 11      0.1420260             -0.4128340        
 12      0.0637270             -0.4154670        
P   12
  1    994.7840000             -0.0000210        
  2    233.5740000             -0.0001440        
  3     49.3355000             -0.0035890        
  4     24.6221000              0.0156100        
  5     14.5861000              0.0277930        
  6      5.1492900             -0.1247310        
  7      2.7642700             -0.2039560        
  8      1.4435900             -0.1616050        
  9      0.7290250              0.1087170        
 10      0.3154570              0.4919850        
 11      0.1420260              0.4531510        
 12      0.0637270              0.0980950        
P   12
  1    994.7840000             -0.0000530        
  2    233.5740000             -0.0003200        
  3     49.3355000             -0.0085840        
  4     24.6221000              0.0436110        
  5     14.5861000              0.0541100        
  6      5.1492900             -0.4003720        
  7      2.7642700             -0.4965730        
  8      1.4435900              0.0947320        
  9      0.7290250              0.9615560        
 10      0.3154570              0.2341110        
 11      0.1420260             -0.7235870        
 12      0.0637270             -0.1789090        
P   12
  1    994.7840000              0.0001360        
  2    233.5740000              0.0000840        
  3     49.3355000              0.0193530        
  4     24.6221000             -0.1195270        
  5     14.5861000              0.0061250        
  6      5.1492900              0.9456850        
  7      2.7642700              0.2440170        
  8      1.4435900             -1.5726390        
  9      0.7290250              0.0798670        
 10      0.3154570              1.5081190        
 11      0.1420260             -0.7601700        
 12      0.0637270             -0.3501020        
P   12
  1    994.7840000              0.0004850        
  2    233.5740000             -0.0017800        
  3     49.3355000              0.0628640        
  4     24.6221000             -0.3991150        
  5     14.5861000              0.3897740        
  6      5.1492900              2.1154930        
  7      2.7642700             -3.0279620        
  8      1.4435900              0.2861890        
  9      0.7290250              2.0889350        
 10      0.3154570             -1.7381410        
 11      0.1420260              0.1087960        
 12      0.0637270              0.6313500        
P   1
  1      0.0282380              1.0000000        
P   1
  1      0.0125000              1.0000000        
D   11
  1    573.2950000              0.0001120        
  2    173.7710000              0.0011780        
  3     68.3868000              0.0080990        
  4     31.9759000              0.0320690        
  5     15.4418000              0.0843040        
  6      7.7849700              0.1679020        
  7      3.9745900              0.2452750        
  8      2.0118300              0.2766790        
  9      0.9966730              0.2550870        
 10      0.4783830              0.1937240        
 11      0.2191490              0.1088390        
D   11
  1    573.2950000             -0.0001410        
  2    173.7710000             -0.0014910        
  3     68.3868000             -0.0102980        
  4     31.9759000             -0.0410320        
  5     15.4418000             -0.1110920        
  6      7.7849700             -0.2249840        
  7      3.9745900             -0.2847560        
  8      2.0118300             -0.1384660        
  9      0.9966730              0.1781060        
 10      0.4783830              0.3882270        
 11      0.2191490              0.3421100        
D   11
  1    573.2950000              0.0001670        
  2    173.7710000              0.0018140        
  3     68.3868000              0.0124100        
  4     31.9759000              0.0503820        
  5     15.4418000              0.1409140        
  6      7.7849700              0.2992030        
  7      3.9745900              0.2379310        
  8      2.0118300             -0.2807740        
  9      0.9966730             -0.5675590        
 10      0.4783830             -0.0797420        
 11      0.2191490              0.5364410        
D   11
  1    573.2950000             -0.0002350        
  2    173.7710000             -0.0027710        
  3     68.3868000             -0.0181450        
  4     31.9759000             -0.0773770        
  5     15.4418000             -0.2272860        
  6      7.7849700             -0.5059800        
  7      3.9745900              0.1897810        
  8      2.0118300              0.9638390        
  9      0.9966730             -0.2840360        
 10      0.4783830             -0.8477920        
 11      0.2191490              0.3362200        
D   11
  1    573.2950000             -0.0003870        
  2    173.7710000             -0.0029480        
  3     68.3868000             -0.0271430        
  4     31.9759000             -0.0903680        
  5     15.4418000             -0.4052580        
  6      7.7849700             -0.4721840        
  7      3.9745900              1.4078920        
  8      2.0118300             -0.1982090        
  9      0.9966730             -1.4144590        
 10      0.4783830              1.1732430        
 11      0.2191490              0.1886550        
D   1
  1      0.0926120              1.0000000        
D   1
  1      0.0391000              1.0000000        
F   1
  1     10.9910000              1.0000000        
F   1
  1      3.9175000              1.0000000        
F   1
  1      1.3964000              1.0000000        
F   1
  1      0.4977000              1.0000000        
F   1
  1      0.1777000              1.0000000        
G   1
  1      8.9630000              1.0000000        
G   1
  1      3.1442000              1.0000000        
G   1
  1      1.1030000              1.0000000        
G   1
  1      0.4190000              1.0000000        
H   1
  1      6.5459000              1.0000000        
H   1
  1      2.0847000              1.0000000        
H   1
  1      0.8725000              1.0000000        
I   1
  1      4.9263000              1.0000000        
I   1
  1      2.3576000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Zn
data:
ZINC
S   15
  1  50419.8000000              0.0000030        
  2   8013.0500000              0.0000230        
  3   1864.4100000              0.0001120        
  4    516.8830000              0.0003830        
  5    110.7390000              0.0039760        
  6     68.5920000             -0.0230070        
  7     42.7231000              0.0717560        
  8     12.8754000             -0.3065280        
  9      8.0517500             -0.1667500        
 10      3.3821000              0.4203140        
 11      1.7453000              0.6007590        
 12      0.8572140              0.2489510        
 13      0.2807370              0.0138190        
 14      0.1549350             -0.0044900        
 15      0.0717090              0.0012540        
S   15
  1  50419.8000000             -0.0000010        
  2   8013.0500000             -0.0000060        
  3   1864.4100000             -0.0000260        
  4    516.8830000             -0.0000930        
  5    110.7390000             -0.0008300        
  6     68.5920000              0.0049010        
  7     42.7231000             -0.0160050        
  8     12.8754000              0.0760090        
  9      8.0517500              0.0344540        
 10      3.3821000             -0.1110350        
 11      1.7453000             -0.2007290        
 12      0.8572140             -0.1768110        
 13      0.2807370              0.0851150        
 14      0.1549350              0.4034450        
 15      0.0717090              0.5114480        
S   15
  1  50419.8000000             -0.0000030        
  2   8013.0500000             -0.0000160        
  3   1864.4100000             -0.0000960        
  4    516.8830000             -0.0002400        
  5    110.7390000             -0.0039270        
  6     68.5920000              0.0194170        
  7     42.7231000             -0.0562510        
  8     12.8754000              0.3060970        
  9      8.0517500              0.0228080        
 10      3.3821000             -0.5195240        
 11      1.7453000             -0.8639280        
 12      0.8572140              0.6649260        
 13      0.2807370              1.4803430        
 14      0.1549350             -0.4416580        
 15      0.0717090             -0.5650320        
S   15
  1  50419.8000000             -0.0000040        
  2   8013.0500000             -0.0000250        
  3   1864.4100000             -0.0001590        
  4    516.8830000             -0.0003690        
  5    110.7390000             -0.0063760        
  6     68.5920000              0.0304960        
  7     42.7231000             -0.0910560        
  8     12.8754000              0.6132990        
  9      8.0517500             -0.1276210        
 10      3.3821000             -1.5796900        
 11      1.7453000             -0.2799730        
 12      0.8572140              2.5541640        
 13      0.2807370             -1.0952430        
 14      0.1549350             -1.2948510        
 15      0.0717090              1.0200980        
S   15
  1  50419.8000000              0.0000080        
  2   8013.0500000              0.0000250        
  3   1864.4100000              0.0003430        
  4    516.8830000              0.0001080        
  5    110.7390000              0.0198600        
  6     68.5920000             -0.0794470        
  7     42.7231000              0.1888710        
  8     12.8754000             -1.5400620        
  9      8.0517500              1.3001280        
 10      3.3821000              3.6828310        
 11      1.7453000             -6.0614780        
 12      0.8572140              2.5776780        
 13      0.2807370              2.9314390        
 14      0.1549350             -4.5441800        
 15      0.0717090              1.6667680        
S   15
  1  50419.8000000              0.0000170        
  2   8013.0500000             -0.0000390        
  3   1864.4100000              0.0009160        
  4    516.8830000             -0.0022000        
  5    110.7390000              0.0782790        
  6     68.5920000             -0.2744010        
  7     42.7231000              0.4636130        
  8     12.8754000             -3.6889700        
  9      8.0517500              5.8729060        
 10      3.3821000             -1.8608770        
 11      1.7453000             -3.9473360        
 12      0.8572140              6.7565010        
 13      0.2807370             -9.1897180        
 14      0.1549350              8.3971990        
 15      0.0717090             -2.4279460        
S   1
  1      0.0327990              1.0000000        
S   1
  1      0.0150000              1.0000000        
P   12
  1   1172.3600000              0.0000370        
  2    276.3820000              0.0002580        
  3     57.8057000              0.0070210        
  4     30.5032000             -0.0239010        
  5     16.1822000             -0.0733240        
  6      5.5670600              0.2236650        
  7      2.9888300              0.3968750        
  8      1.5613900              0.3536010        
  9      0.7880740              0.1533350        
 10      0.3402420              0.0187970        
 11      0.1525990             -0.0004710        
 12      0.0678110              0.0006920        
P   12
  1   1172.3600000             -0.0000080        
  2    276.3820000             -0.0000500        
  3     57.8057000             -0.0014730        
  4     30.5032000              0.0052210        
  5     16.1822000              0.0142920        
  6      5.5670600             -0.0513650        
  7      2.9888300             -0.0873340        
  8      1.5613900             -0.0928550        
  9      0.7880740             -0.0160040        
 10      0.3402420              0.1818650        
 11      0.1525990              0.4048920        
 12      0.0678110              0.4236760        
P   12
  1   1172.3600000             -0.0000150        
  2    276.3820000             -0.0000930        
  3     57.8057000             -0.0028550        
  4     30.5032000              0.0105360        
  5     16.1822000              0.0264820        
  6      5.5670600             -0.1069190        
  7      2.9888300             -0.1724900        
  8      1.5613900             -0.1495920        
  9      0.7880740              0.0523850        
 10      0.3402420              0.4568830        
 11      0.1525990              0.5063440        
 12      0.0678110              0.1148650        
P   12
  1   1172.3600000              0.0000460        
  2    276.3820000              0.0002220        
  3     57.8057000              0.0082730        
  4     30.5032000             -0.0347590        
  5     16.1822000             -0.0627710        
  6      5.5670600              0.4119930        
  7      2.9888300              0.4684490        
  8      1.5613900             -0.0597750        
  9      0.7880740             -0.9337340        
 10      0.3402420             -0.3208820        
 11      0.1525990              0.7113880        
 12      0.0678110              0.1858950        
P   12
  1   1172.3600000              0.0001280        
  2    276.3820000             -0.0000810        
  3     57.8057000              0.0192510        
  4     30.5032000             -0.0908240        
  5     16.1822000             -0.0266290        
  6      5.5670600              0.9279990        
  7      2.9888300              0.2501550        
  8      1.5613900             -1.4807320        
  9      0.7880740             -0.0649640        
 10      0.3402420              1.5719090        
 11      0.1525990             -0.7383820        
 12      0.0678110             -0.3691900        
P   12
  1   1172.3600000             -0.0004970        
  2    276.3820000              0.0022090        
  3     57.8057000             -0.0669790        
  4     30.5032000              0.3166910        
  5     16.1822000             -0.2842230        
  6      5.5670600             -2.0485230        
  7      2.9888300              2.7506110        
  8      1.5613900              0.0688920        
  9      0.7880740             -2.2656820        
 10      0.3402420              1.6860730        
 11      0.1525990              0.0068520        
 12      0.0678110             -0.6912180        
P   1
  1      0.0296610              1.0000000        
P   1
  1      0.0130000              1.0000000        
D   11
  1    711.3310000              0.0000920        
  2    215.9730000              0.0009620        
  3     85.1094000              0.0065710        
  4     39.8164000              0.0280230        
  5     19.4372000              0.0745890        
  6      9.8713900              0.1546060        
  7      5.0968200              0.2383640        
  8      2.6187300              0.2815350        
  9      1.3210700              0.2662440        
 10      0.6482480              0.1976310        
 11      0.3048130              0.1001960        
D   11
  1    711.3310000              0.0001270        
  2    215.9730000              0.0013370        
  3     85.1094000              0.0092050        
  4     39.8164000              0.0394400        
  5     19.4372000              0.1080670        
  6      9.8713900              0.2315870        
  7      5.0968200              0.3176520        
  8      2.6187300              0.1682570        
  9      1.3210700             -0.1969900        
 10      0.6482480             -0.4125860        
 11      0.3048130             -0.3046730        
D   11
  1    711.3310000              0.0001410        
  2    215.9730000              0.0015490        
  3     85.1094000              0.0104550        
  4     39.8164000              0.0459910        
  5     19.4372000              0.1290630        
  6      9.8713900              0.3058050        
  7      5.0968200              0.2663160        
  8      2.6187300             -0.3407180        
  9      1.3210700             -0.5632060        
 10      0.6482480             -0.0364510        
 11      0.3048130              0.5568570        
D   11
  1    711.3310000              0.0001650        
  2    215.9730000              0.0021010        
  3     85.1094000              0.0129370        
  4     39.8164000              0.0618650        
  5     19.4372000              0.1725820        
  6      9.8713900              0.4627300        
  7      5.0968200             -0.0296170        
  8      2.6187300             -0.9453840        
  9      1.3210700              0.0721040        
 10      0.6482480              1.0067700        
 11      0.3048130             -0.2852740        
D   11
  1    711.3310000             -0.0002720        
  2    215.9730000             -0.0025010        
  3     85.1094000             -0.0197970        
  4     39.8164000             -0.0786830        
  5     19.4372000             -0.3036580        
  6      9.8713900             -0.6107360        
  7      5.0968200              1.1190580        
  8      2.6187300              0.4422770        
  9      1.3210700             -1.7152170        
 10      0.6482480              0.8711110        
 11      0.3048130              0.6507680        
D   1
  1      0.1327280              1.0000000        
D   1
  1      0.0578000              1.0000000        
F   1
  1     12.3345000              1.0000000        
F   1
  1      4.4340000              1.0000000        
F   1
  1      1.5940000              1.0000000        
F   1
  1      0.5730000              1.0000000        
F   1
  1      0.2073000              1.0000000        
G   1
  1     10.1826000              1.0000000        
G   1
  1      3.6072000              1.0000000        
G   1
  1      1.2779000              1.0000000        
G   1
  1      0.4949000              1.0000000        
H   1
  1      7.5136000              1.0000000        
H   1
  1      2.4171000              1.0000000        
H   1
  1      1.0334000              1.0000000        
I   1
  1      5.6635000              1.0000000        
I   1
  1      2.8046000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Ga
data:
GALLIUM
S   11
  1  58304.0000000              0.0000090        
  2   8750.1100000              0.0000690        
  3   1993.7400000              0.0003380        
  4    561.2110000              0.0011640        
  5    169.4830000              0.0027600        
  6     50.6343000             -0.0303200        
  7     31.6278000              0.2101440        
  8     19.7559000             -0.2745810        
  9     10.8801000             -0.2901780        
 10      3.3657300              0.4639660        
 11      1.7863900              0.5555760        
S   11
  1  58304.0000000             -0.0000030        
  2   8750.1100000             -0.0000190        
  3   1993.7400000             -0.0000940        
  4    561.2110000             -0.0003310        
  5    169.4830000             -0.0007420        
  6     50.6343000              0.0073540        
  7     31.6278000             -0.0549410        
  8     19.7559000              0.0759350        
  9     10.8801000              0.0785670        
 10      3.3657300             -0.1497330        
 11      1.7863900             -0.2330010        
S   1
  1      0.9248560              1.0000000        
S   1
  1      0.3850520              1.0000000        
S   1
  1      0.1974380              1.0000000        
S   1
  1      0.0933400              1.0000000        
S   1
  1      0.0430420              1.0000000        
S   1
  1      0.0158000              1.0000000        
P   9
  1   1291.8500000              0.0000370        
  2    304.5330000              0.0002530        
  3     65.1240000              0.0063340        
  4     35.0808000             -0.0190810        
  5     17.7836000             -0.0784410        
  6      5.9599400              0.2364080        
  7      3.1648700              0.4114670        
  8      1.6385500              0.3513880        
  9      0.3407900              0.0115480        
P   9
  1   1291.8500000             -0.0000070        
  2    304.5330000             -0.0000420        
  3     65.1240000             -0.0011840        
  4     35.0808000              0.0037260        
  5     17.7836000              0.0133950        
  6      5.9599400             -0.0471750        
  7      3.1648700             -0.0777900        
  8      1.6385500             -0.0824390        
  9      0.3407900              0.1724180        
P   1
  1      0.8190480              1.0000000        
P   1
  1      0.1498120              1.0000000        
P   1
  1      0.0653020              1.0000000        
P   1
  1      0.0281860              1.0000000        
P   1
  1      0.0093000              1.0000000        
D   9
  1    937.3970000              0.0000670        
  2    284.0210000              0.0007100        
  3    111.6010000              0.0049490        
  4     51.9844000              0.0230450        
  5     25.4991000              0.0624300        
  6     12.9757000              0.1369690        
  7      6.7328000              0.2246600        
  8      3.4882900              0.2830560        
  9      1.7778100              0.2811840        
D   1
  1      0.8829960              1.0000000        
D   1
  1      0.4202770              1.0000000        
D   1
  1      0.1821750              1.0000000        
D   1
  1      0.0736000              1.0000000        
D   1
  1      0.0254000              1.0000000        
F   1
  1      0.6129000              1.0000000        
F   1
  1      0.2939000              1.0000000        
F   1
  1      0.1409000              1.0000000        
F   1
  1      0.0535000              1.0000000        
G   1
  1      0.6164000              1.0000000        
G   1
  1      0.2816000              1.0000000        
G   1
  1      0.1158000              1.0000000        
H   1
  1      0.5141000              1.0000000        
H   1
  1      0.2425000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Ge
data:
GERMANIUM
S   11
  1  66248.0000000              0.0000130        
  2   9994.2400000              0.0000960        
  3   2275.1400000              0.0004790        
  4    640.9510000              0.0016720        
  5    200.2860000              0.0038160        
  6     52.5937000             -0.0220560        
  7     32.8540000              0.2046500        
  8     20.5236000             -0.3135580        
  9     10.8875000             -0.2593200        
 10      4.2006100              0.3017940        
 11      2.3710500              0.5832880        
S   11
  1  66248.0000000             -0.0000040        
  2   9994.2400000             -0.0000310        
  3   2275.1400000             -0.0001500        
  4    640.9510000             -0.0005380        
  5    200.2860000             -0.0011750        
  6     52.5937000              0.0053550        
  7     32.8540000             -0.0584210        
  8     20.5236000              0.0952160        
  9     10.8875000              0.0794140        
 10      4.2006100             -0.1077830        
 11      2.3710500             -0.2460700        
S   1
  1      1.2386500              1.0000000        
S   1
  1      0.5524950              1.0000000        
S   1
  1      0.2893670              1.0000000        
S   1
  1      0.1325360              1.0000000        
S   1
  1      0.0593990              1.0000000        
S   1
  1      0.0241000              1.0000000        
P   9
  1   1379.4800000              0.0000430        
  2    323.5350000              0.0003080        
  3     72.2644000              0.0053190        
  4     31.3340000             -0.0284140        
  5     17.8983000             -0.0723920        
  6      6.9115000              0.1980710        
  7      3.7806700              0.3949700        
  8      1.9881000              0.3764380        
  9      0.4405050              0.0162550        
P   9
  1   1379.4800000             -0.0000100        
  2    323.5350000             -0.0000650        
  3     72.2644000             -0.0011690        
  4     31.3340000              0.0065810        
  5     17.8983000              0.0149130        
  6      6.9115000             -0.0486600        
  7      3.7806700             -0.0913690        
  8      1.9881000             -0.1059250        
  9      0.4405050              0.1890840        
P   1
  1      1.0090500              1.0000000        
P   1
  1      0.2018100              1.0000000        
P   1
  1      0.0906810              1.0000000        
P   1
  1      0.0397480              1.0000000        
P   1
  1      0.0158000              1.0000000        
D   9
  1   1096.4900000              0.0000590        
  2    332.6520000              0.0006190        
  3    130.5390000              0.0042520        
  4     60.0855000              0.0209790        
  5     29.8203000              0.0582370        
  6     15.2103000              0.1322000        
  7      7.9346100              0.2229070        
  8      4.1299300              0.2862040        
  9      2.1216500              0.2869280        
D   1
  1      1.0673300              1.0000000        
D   1
  1      0.5149340              1.0000000        
D   1
  1      0.2231600              1.0000000        
D   1
  1      0.0924000              1.0000000        
D   1
  1      0.0357000              1.0000000        
F   1
  1      0.6771000              1.0000000        
F   1
  1      0.3347000              1.0000000        
F   1
  1      0.1655000              1.0000000        
F   1
  1      0.0709000              1.0000000        
G   1
  1      0.6998000              1.0000000        
G   1
  1      0.3220000              1.0000000        
G   1
  1      0.1454000              1.0000000        
H   1
  1      0.5966000              1.0000000        
H   1
  1      0.3051000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: As
data:
ARSENIC
S   11
  1  72721.4000000              0.0000190        
  2  10918.7000000              0.0001470        
  3   2483.4900000              0.0007310        
  4    700.2830000              0.0025770        
  5    220.8660000              0.0059010        
  6     54.8624000             -0.0108950        
  7     34.2712000              0.1886140        
  8     21.4122000             -0.3326000        
  9     11.2090000             -0.2236930        
 10      4.7090300              0.2724230        
 11      2.6280200              0.5951570        
S   11
  1  72721.4000000             -0.0000070        
  2  10918.7000000             -0.0000520        
  3   2483.4900000             -0.0002550        
  4    700.2830000             -0.0009160        
  5    220.8660000             -0.0020490        
  6     54.8624000              0.0017590        
  7     34.2712000             -0.0572190        
  8     21.4122000              0.1090260        
  9     11.2090000              0.0748120        
 10      4.7090300             -0.1041800        
 11      2.6280200             -0.2835790        
S   1
  1      1.3773000              1.0000000        
S   1
  1      0.6196870              1.0000000        
S   1
  1      0.3352220              1.0000000        
S   1
  1      0.1581240              1.0000000        
S   1
  1      0.0723260              1.0000000        
S   1
  1      0.0292000              1.0000000        
P   9
  1   1376.8400000              0.0000550        
  2    323.2210000              0.0003900        
  3     72.9045000              0.0061360        
  4     29.8358000             -0.0401290        
  5     18.6028000             -0.0646780        
  6      7.4792200              0.2043790        
  7      4.0732700              0.4029820        
  8      2.1574200              0.3717230        
  9      0.5100210              0.0151230        
P   9
  1   1376.8400000             -0.0000140        
  2    323.2210000             -0.0000960        
  3     72.9045000             -0.0015110        
  4     29.8358000              0.0105460        
  5     18.6028000              0.0146470        
  6      7.4792200             -0.0568210        
  7      4.0732700             -0.1074180        
  8      2.1574200             -0.1217970        
  9      0.5100210              0.2250800        
P   1
  1      1.1145700              1.0000000        
P   1
  1      0.2397330              1.0000000        
P   1
  1      0.1105710              1.0000000        
P   1
  1      0.0496000              1.0000000        
P   1
  1      0.0199000              1.0000000        
D   9
  1   1074.5600000              0.0000780        
  2    326.2130000              0.0008150        
  3    128.4700000              0.0054910        
  4     59.3916000              0.0262340        
  5     29.7136000              0.0694970        
  6     15.2633000              0.1468480        
  7      8.0362600              0.2345940        
  8      4.2458500              0.2883830        
  9      2.2284000              0.2762330        
D   1
  1      1.1499100              1.0000000        
D   1
  1      0.5673150              1.0000000        
D   1
  1      0.2468120              1.0000000        
D   1
  1      0.1045000              1.0000000        
D   1
  1      0.0407000              1.0000000        
F   1
  1      0.7690000              1.0000000        
F   1
  1      0.3928000              1.0000000        
F   1
  1      0.2007000              1.0000000        
F   1
  1      0.0827000              1.0000000        
G   1
  1      0.8060000              1.0000000        
G   1
  1      0.3781000              1.0000000        
G   1
  1      0.1625000              1.0000000        
H   1
  1      0.6931000              1.0000000        
H   1
  1      0.3304000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Se
data:
SELENIUM
S   11
  1 190762.0000000              0.0000100        
  2  28502.4000000              0.0000750        
  3   6487.7600000              0.0003850        
  4   1840.1800000              0.0014970        
  5    601.0370000              0.0044470        
  6    211.4850000              0.0088430        
  7     35.5896000              0.1716000        
  8     22.2449000             -0.3405180        
  9     11.1029000             -0.2268530        
 10      5.9155000              0.2167760        
 11      3.0479900              0.6356320        
S   11
  1 190762.0000000             -0.0000040        
  2  28502.4000000             -0.0000290        
  3   6487.7600000             -0.0001460        
  4   1840.1800000             -0.0005970        
  5    601.0370000             -0.0016690        
  6    211.4850000             -0.0036550        
  7     35.5896000             -0.0612610        
  8     22.2449000              0.1275120        
  9     11.1029000              0.0736870        
 10      5.9155000             -0.0771650        
 11      3.0479900             -0.3336460        
S   1
  1      1.5481700              1.0000000        
S   1
  1      0.6147930              1.0000000        
S   1
  1      0.3623130              1.0000000        
S   1
  1      0.1775170              1.0000000        
S   1
  1      0.0822260              1.0000000        
S   1
  1      0.0330000              1.0000000        
P   9
  1   1292.4900000              0.0000790        
  2    305.0160000              0.0005380        
  3     71.1563000              0.0080750        
  4     33.5594000             -0.0334140        
  5     20.9795000             -0.0709290        
  6      7.9404900              0.2144980        
  7      4.3150100              0.4146170        
  8      2.2857700              0.3654030        
  9      0.5601650              0.0120500        
P   9
  1   1292.4900000             -0.0000220        
  2    305.0160000             -0.0001440        
  3     71.1563000             -0.0022050        
  4     33.5594000              0.0098950        
  5     20.9795000              0.0174690        
  6      7.9404900             -0.0656190        
  7      4.3150100             -0.1221080        
  8      2.2857700             -0.1357460        
  9      0.5601650              0.2708900        
P   1
  1      1.1863400              1.0000000        
P   1
  1      0.2639050              1.0000000        
P   1
  1      0.1215710              1.0000000        
P   1
  1      0.0544860              1.0000000        
P   1
  1      0.0227000              1.0000000        
D   9
  1   1240.4300000              0.0000690        
  2    376.7540000              0.0007240        
  3    148.2780000              0.0048330        
  4     67.9348000              0.0239000        
  5     34.3765000              0.0661480        
  6     17.7066000              0.1405730        
  7      9.3670100              0.2302450        
  8      4.9782200              0.2893090        
  9      2.6317300              0.2813860        
D   1
  1      1.3692200              1.0000000        
D   1
  1      0.6788170              1.0000000        
D   1
  1      0.2918180              1.0000000        
D   1
  1      0.1234000              1.0000000        
D   1
  1      0.0510000              1.0000000        
F   1
  1      0.8441000              1.0000000        
F   1
  1      0.4238000              1.0000000        
F   1
  1      0.2128000              1.0000000        
F   1
  1      0.0947000              1.0000000        
G   1
  1      0.8608000              1.0000000        
G   1
  1      0.3864000              1.0000000        
G   1
  1      0.1789000              1.0000000        
H   1
  1      0.7361000              1.0000000        
H   1
  1      0.3906000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Br
data:
BROMINE
S   11
  1 200938.0000000              0.0000090        
  2  29988.8000000              0.0000670        
  3   6825.5600000              0.0003470        
  4   1940.5200000              0.0013380        
  5    635.8020000              0.0039120        
  6    224.4040000              0.0075260        
  7     37.6333000              0.1644060        
  8     23.5218000             -0.3355150        
  9     11.8595000             -0.2547660        
 10      7.4061100              0.1758060        
 11      3.5814200              0.6294170        
S   11
  1 200938.0000000             -0.0000030        
  2  29988.8000000             -0.0000280        
  3   6825.5600000             -0.0001380        
  4   1940.5200000             -0.0005560        
  5    635.8020000             -0.0015320        
  6    224.4040000             -0.0032430        
  7     37.6333000             -0.0617910        
  8     23.5218000              0.1335230        
  9     11.8595000              0.0836960        
 10      7.4061100             -0.0573700        
 11      3.5814200             -0.3378010        
S   1
  1      1.8335600              1.0000000        
S   1
  1      0.8030160              1.0000000        
S   1
  1      0.4622600              1.0000000        
S   1
  1      0.2196120              1.0000000        
S   1
  1      0.0997550              1.0000000        
S   1
  1      0.0391000              1.0000000        
P   9
  1   1328.6400000              0.0000980        
  2    312.5360000              0.0006740        
  3     74.1900000              0.0089480        
  4     37.6058000             -0.0249850        
  5     23.5026000             -0.0763880        
  6      8.4691300              0.2141130        
  7      4.7068700              0.4033530        
  8      2.5568200              0.3631400        
  9      0.6468200              0.0142540        
P   9
  1   1328.6400000             -0.0000290        
  2    312.5360000             -0.0001930        
  3     74.1900000             -0.0026800        
  4     37.6058000              0.0083940        
  5     23.5026000              0.0202870        
  6      8.4691300             -0.0716790        
  7      4.7068700             -0.1279330        
  8      2.5568200             -0.1481780        
  9      0.6468200              0.2854460        
P   1
  1      1.3564700              1.0000000        
P   1
  1      0.3078880              1.0000000        
P   1
  1      0.1425070              1.0000000        
P   1
  1      0.0637020              1.0000000        
P   1
  1      0.0269000              1.0000000        
D   9
  1   1441.5800000              0.0000600        
  2    437.6910000              0.0006250        
  3    172.1530000              0.0041530        
  4     78.2124000              0.0210120        
  5     39.6082000              0.0628140        
  6     20.3440000              0.1358290        
  7     10.7392000              0.2291320        
  8      5.7077300              0.2936930        
  9      3.0219400              0.2863460        
D   1
  1      1.5766900              1.0000000        
D   1
  1      0.7844110              1.0000000        
D   1
  1      0.3352350              1.0000000        
D   1
  1      0.1425000              1.0000000        
D   1
  1      0.0655000              1.0000000        
F   1
  1      0.9583000              1.0000000        
F   1
  1      0.4974000              1.0000000        
F   1
  1      0.2582000              1.0000000        
F   1
  1      0.1282000              1.0000000        
G   1
  1      0.9721000              1.0000000        
G   1
  1      0.4390000              1.0000000        
G   1
  1      0.2121000              1.0000000        
H   1
  1      0.8318000              1.0000000        
H   1
  1      0.4718000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Kr
data:
KRYPTON
S   11
  1 196415.0000000              0.0000140        
  2  29445.8000000              0.0001120        
  3   6706.7600000              0.0005750        
  4   1900.0100000              0.0022320        
  5    617.9210000              0.0064930        
  6    216.8900000              0.0120480        
  7     41.4616000              0.1443110        
  8     25.9128000             -0.2218010        
  9     16.1924000             -0.2604670        
 10     10.1151210              0.0080320        
 11      4.4572100              0.5683340        
S   11
  1 196415.0000000             -0.0000060        
  2  29445.8000000             -0.0000500        
  3   6706.7600000             -0.0002510        
  4   1900.0100000             -0.0009970        
  5    617.9210000             -0.0028200        
  6    216.8900000             -0.0055380        
  7     41.4616000             -0.0600470        
  8     25.9128000              0.1056650        
  9     16.1924000              0.0798320        
 10     10.1151210              0.0095470        
 11      4.4572100             -0.2980890        
S   1
  1      2.2989000              1.0000000        
S   1
  1      1.1120300              1.0000000        
S   1
  1      0.5849580              1.0000000        
S   1
  1      0.2695400              1.0000000        
S   1
  1      0.1200660              1.0000000        
S   1
  1      0.0452000              1.0000000        
P   9
  1   1353.1000000              0.0001210        
  2    318.3800000              0.0008350        
  3     76.7397000              0.0100060        
  4     41.2326000             -0.0194120        
  5     25.7712000             -0.0816420        
  6      9.1185400              0.2117770        
  7      5.1337800              0.4008980        
  8      2.8200200              0.3644850        
  9      0.7289460              0.0143150        
P   9
  1   1353.1000000             -0.0000380        
  2    318.3800000             -0.0002530        
  3     76.7397000             -0.0032220        
  4     41.2326000              0.0073950        
  5     25.7712000              0.0228610        
  6      9.1185400             -0.0758410        
  7      5.1337800             -0.1351730        
  8      2.8200200             -0.1593780        
  9      0.7289460              0.3032220        
P   1
  1      1.5102200              1.0000000        
P   1
  1      0.3497230              1.0000000        
P   1
  1      0.1630940              1.0000000        
P   1
  1      0.0732740              1.0000000        
P   1
  1      0.0311000              1.0000000        
D   9
  1   1611.8500000              0.0000560        
  2    489.2450000              0.0005850        
  3    192.5350000              0.0038560        
  4     87.2980000              0.0194460        
  5     44.2590000              0.0613320        
  6     22.8320000              0.1327370        
  7     12.0741000              0.2273220        
  8      6.4274800              0.2958740        
  9      3.4104800              0.2902060        
D   1
  1      1.7856000              1.0000000        
D   1
  1      0.8905060              1.0000000        
D   1
  1      0.3778270              1.0000000        
D   1
  1      0.1613000              1.0000000        
D   1
  1      0.0800000              1.0000000        
F   1
  1      1.0893000              1.0000000        
F   1
  1      0.5909000              1.0000000        
F   1
  1      0.3205000              1.0000000        
F   1
  1      0.1617000              1.0000000        
G   1
  1      1.1008000              1.0000000        
G   1
  1      0.5006000              1.0000000        
G   1
  1      0.2453000              1.0000000        
H   1
  1      0.9459000              1.0000000        
H   1
  1      0.5530000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Y
data:
YTTRIUM
S   15
  1  14079.8000000              0.0000020        
  2   2247.3800000              0.0000120        
  3    520.2370000              0.0000550        
  4    150.8110000              0.0001820        
  5     24.5030000              0.0063950        
  6     15.2418000             -0.0507640        
  7      9.5008400              0.1584540        
  8      3.8237200             -0.3025540        
  9      2.2758600             -0.3335140        
 10      1.0644100              0.3230000        
 11      0.5855490              0.6589720        
 12      0.3053020              0.3425110        
 13      0.1209720              0.0313300        
 14      0.0663880             -0.0056260        
 15      0.0328380              0.0038640        
S   15
  1  14079.8000000             -0.0000010        
  2   2247.3800000             -0.0000040        
  3    520.2370000             -0.0000170        
  4    150.8110000             -0.0000630        
  5     24.5030000             -0.0018670        
  6     15.2418000              0.0154110        
  7      9.5008400             -0.0501630        
  8      3.8237200              0.1063820        
  9      2.2758600              0.1060530        
 10      1.0644100             -0.1261720        
 11      0.5855490             -0.2894070        
 12      0.3053020             -0.2983620        
 13      0.1209720              0.0703960        
 14      0.0663880              0.5421300        
 15      0.0328380              0.5063430        
S   15
  1  14079.8000000             -0.0000010        
  2   2247.3800000             -0.0000060        
  3    520.2370000             -0.0000390        
  4    150.8110000             -0.0000800        
  5     24.5030000             -0.0044970        
  6     15.2418000              0.0316780        
  7      9.5008400             -0.0959870        
  8      3.8237200              0.2168610        
  9      2.2758600              0.1488480        
 10      1.0644100             -0.1548790        
 11      0.5855490             -0.9680620        
 12      0.3053020             -0.1326710        
 13      0.1209720              1.9311600        
 14      0.0663880              0.0584030        
 15      0.0328380             -1.0476370        
S   15
  1  14079.8000000             -0.0000020        
  2   2247.3800000             -0.0000070        
  3    520.2370000             -0.0000750        
  4    150.8110000             -0.0000600        
  5     24.5030000             -0.0088600        
  6     15.2418000              0.0549640        
  7      9.5008400             -0.1555790        
  8      3.8237200              0.3733420        
  9      2.2758600              0.1832600        
 10      1.0644100             -0.2559760        
 11      0.5855490             -2.6856670        
 12      0.3053020              3.1169230        
 13      0.1209720              1.4891180        
 14      0.0663880             -3.8710430        
 15      0.0328380              1.1354790        
S   15
  1  14079.8000000              0.0000010        
  2   2247.3800000              0.0000200        
  3    520.2370000             -0.0000040        
  4    150.8110000              0.0004190        
  5     24.5030000             -0.0035840        
  6     15.2418000             -0.0088590        
  7      9.5008400              0.0927170        
  8      3.8237200             -0.2082400        
  9      2.2758600             -0.7040030        
 10      1.0644100              1.5832420        
 11      0.5855490              2.2439820        
 12      0.3053020             -6.5232510        
 13      0.1209720              7.7285540        
 14      0.0663880             -4.0430630        
 15      0.0328380             -1.8182600        
S   15
  1  14079.8000000              0.0000010        
  2   2247.3800000             -0.0000700        
  3    520.2370000              0.0002120        
  4    150.8110000             -0.0016450        
  5     24.5030000              0.0374170        
  6     15.2418000             -0.0982160        
  7      9.5008400             -0.0147960        
  8      3.8237200              0.1024510        
  9      2.2758600              2.4700340        
 10      1.0644100            -10.3553030        
 11      0.5855490             13.7413150        
 12      0.3053020             -7.1906790        
 13      0.1209720             -1.6873260        
 14      0.0663880              7.1160260        
 15      0.0328380             -7.0095890        
S   1
  1      0.0163780              1.0000000        
S   1
  1      0.0082000              1.0000000        
P   12
  1     77.9108000              0.0001380        
  2     13.7037000             -0.0025430        
  3      8.5560000              0.0399220        
  4      5.3433500             -0.0836390        
  5      3.1309600             -0.1096760        
  6      1.2481300              0.2329360        
  7      0.7057070              0.4155860        
  8      0.3920400              0.3493680        
  9      0.2128650              0.1423730        
 10      0.1070420              0.0206040        
 11      0.0543460              0.0016540        
 12      0.0277480              0.0004450        
P   12
  1     77.9108000             -0.0000440        
  2     13.7037000              0.0007800        
  3      8.5560000             -0.0125610        
  4      5.3433500              0.0277150        
  5      3.1309600              0.0321010        
  6      1.2481300             -0.0822140        
  7      0.7057070             -0.1470040        
  8      0.3920400             -0.1728880        
  9      0.2128650             -0.0159480        
 10      0.1070420              0.3279480        
 11      0.0543460              0.5086540        
 12      0.0277480              0.2731240        
P   12
  1     77.9108000             -0.0000870        
  2     13.7037000              0.0013570        
  3      8.5560000             -0.0263010        
  4      5.3433500              0.0568510        
  5      3.1309600              0.0832770        
  6      1.2481300             -0.1786520        
  7      0.7057070             -0.5462370        
  8      0.3920400             -0.3616030        
  9      0.2128650              1.1540840        
 10      0.1070420              0.6563890        
 11      0.0543460             -0.8183480        
 12      0.0277480             -0.3749600        
P   12
  1     77.9108000             -0.0001350        
  2     13.7037000              0.0025540        
  3      8.5560000             -0.0373320        
  4      5.3433500              0.0849530        
  5      3.1309600              0.0909480        
  6      1.2481300             -0.2654300        
  7      0.7057070             -1.0981110        
  8      0.3920400              0.8351060        
  9      0.2128650              1.7852520        
 10      0.1070420             -2.0517060        
 11      0.0543460             -0.3318250        
 12      0.0277480              1.0846930        
P   12
  1     77.9108000             -0.0003270        
  2     13.7037000              0.0107320        
  3      8.5560000             -0.0873380        
  4      5.3433500              0.1815290        
  5      3.1309600              0.1439620        
  6      1.2481300             -0.8796010        
  7      0.7057070             -1.5966240        
  8      0.3920400              4.8613140        
  9      0.2128650             -3.4449480        
 10      0.1070420             -0.7351070        
 11      0.0543460              2.8678810        
 12      0.0277480             -1.6056420        
P   12
  1     77.9108000             -0.0001010        
  2     13.7037000             -0.0058350        
  3      8.5560000             -0.0550890        
  4      5.3433500              0.1703450        
  5      3.1309600              0.4395670        
  6      1.2481300             -4.2725720        
  7      0.7057070              6.2343020        
  8      0.3920400             -2.0751110        
  9      0.2128650             -3.4656920        
 10      0.1070420              5.9121840        
 11      0.0543460             -4.7865070        
 12      0.0277480              1.7266830        
P   1
  1      0.0142710              1.0000000        
P   1
  1      0.0073000              1.0000000        
D   10
  1     45.4024000              0.0001200        
  2     12.9334000              0.0010990        
  3      4.8006500             -0.0068000        
  4      1.8593400              0.0303570        
  5      1.1169700              0.0992990        
  6      0.6437090              0.1802560        
  7      0.3523490              0.2459700        
  8      0.1853680              0.2811180        
  9      0.0931220              0.2667400        
 10      0.0445400              0.1692660        
D   10
  1     45.4024000             -0.0001510        
  2     12.9334000             -0.0012580        
  3      4.8006500              0.0078620        
  4      1.8593400             -0.0402620        
  5      1.1169700             -0.1228420        
  6      0.6437090             -0.2289480        
  7      0.3523490             -0.2879670        
  8      0.1853680             -0.1377670        
  9      0.0931220              0.2766650        
 10      0.0445400              0.5148560        
D   10
  1     45.4024000              0.0001950        
  2     12.9334000              0.0016130        
  3      4.8006500             -0.0101290        
  4      1.8593400              0.0537820        
  5      1.1169700              0.1808020        
  6      0.6437090              0.3422230        
  7      0.3523490              0.2506190        
  8      0.1853680             -0.5086550        
  9      0.0931220             -0.6756680        
 10      0.0445400              0.4144900        
D   10
  1     45.4024000             -0.0001840        
  2     12.9334000             -0.0030890        
  3      4.8006500              0.0194310        
  4      1.8593400             -0.0954860        
  5      1.1169700             -0.3003170        
  6      0.6437090             -0.6932980        
  7      0.3523490              0.7279550        
  8      0.1853680              1.0036120        
  9      0.0931220             -1.1469290        
 10      0.0445400             -0.2917490        
D   10
  1     45.4024000             -0.0003570        
  2     12.9334000             -0.0039810        
  3      4.8006500              0.0278630        
  4      1.8593400             -0.1590440        
  5      1.1169700             -0.8147140        
  6      0.6437090             -0.0017590        
  7      0.3523490              2.1872360        
  8      0.1853680             -2.0397820        
  9      0.0931220             -0.0556930        
 10      0.0445400              1.4099920        
D   1
  1      0.0200680              1.0000000        
D   1
  1      0.0090000              1.0000000        
F   1
  1      1.6458000              1.0000000        
F   1
  1      0.5735000              1.0000000        
F   1
  1      0.1999000              1.0000000        
F   1
  1      0.0697000              1.0000000        
F   1
  1      0.0239000              1.0000000        
G   1
  1      0.9326000              1.0000000        
G   1
  1      0.3358000              1.0000000        
G   1
  1      0.1209000              1.0000000        
G   1
  1      0.0385000              1.0000000        
H   1
  1      0.6710000              1.0000000        
H   1
  1      0.2242000              1.0000000        
H   1
  1      0.0719000              1.0000000        
I   1
  1      0.3993000              1.0000000        
I   1
  1      0.1184000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Zr
data:
ZIRCONIUM
S   15
  1  15437.5000000              0.0000020        
  2   2465.9700000              0.0000130        
  3    578.6510000              0.0000590        
  4    162.7350000              0.0001980        
  5     26.5335000              0.0066440        
  6     16.5704000             -0.0525730        
  7     10.3303000              0.1634440        
  8      4.1481000             -0.3059450        
  9      2.5161300             -0.3490550        
 10      1.1659700              0.3455410        
 11      0.6451250              0.6639130        
 12      0.3370100              0.3281410        
 13      0.1365970              0.0293880        
 14      0.0726290             -0.0041590        
 15      0.0358930              0.0032740        
S   15
  1  15437.5000000             -0.0000010        
  2   2465.9700000             -0.0000040        
  3    578.6510000             -0.0000190        
  4    162.7350000             -0.0000700        
  5     26.5335000             -0.0019840        
  6     16.5704000              0.0162570        
  7     10.3303000             -0.0526420        
  8      4.1481000              0.1103950        
  9      2.5161300              0.1116980        
 10      1.1659700             -0.1375420        
 11      0.6451250             -0.3040570        
 12      0.3370100             -0.2837350        
 13      0.1365970              0.0962260        
 14      0.0726290              0.5363000        
 15      0.0358930              0.4913850        
S   15
  1  15437.5000000             -0.0000010        
  2   2465.9700000             -0.0000070        
  3    578.6510000             -0.0000450        
  4    162.7350000             -0.0001000        
  5     26.5335000             -0.0050430        
  6     16.5704000              0.0355610        
  7     10.3303000             -0.1078700        
  8      4.1481000              0.2427640        
  9      2.5161300              0.1748460        
 10      1.1659700             -0.2103000        
 11      0.6451250             -1.1293430        
 12      0.3370100              0.0990480        
 13      0.1365970              1.9494820        
 14      0.0726290             -0.1464570        
 15      0.0358930             -0.9659600        
S   15
  1  15437.5000000             -0.0000020        
  2   2465.9700000             -0.0000100        
  3    578.6510000             -0.0000750        
  4    162.7350000             -0.0001300        
  5     26.5335000             -0.0083810        
  6     16.5704000              0.0560560        
  7     10.3303000             -0.1678690        
  8      4.1481000              0.4051870        
  9      2.5161300              0.2797260        
 10      1.1659700             -0.6336340        
 11      0.6451250             -2.5875580        
 12      0.3370100              3.7335630        
 13      0.1365970              0.3891840        
 14      0.0726290             -3.2884940        
 15      0.0358930              1.4132350        
S   15
  1  15437.5000000              0.0000010        
  2   2465.9700000              0.0000320        
  3    578.6510000             -0.0000380        
  4    162.7350000              0.0007060        
  5     26.5335000             -0.0109030        
  6     16.5704000              0.0125820        
  7     10.3303000              0.0829970        
  8      4.1481000             -0.1789480        
  9      2.5161300             -1.1538930        
 10      1.1659700              3.5607120        
 11      0.6451250             -0.7683280        
 12      0.3370100             -4.8187130        
 13      0.1365970              8.1060540        
 14      0.0726290             -5.8703430        
 15      0.0358930              0.0251120        
S   15
  1  15437.5000000             -0.0000020        
  2   2465.9700000             -0.0000490        
  3    578.6510000              0.0000270        
  4    162.7350000             -0.0010470        
  5     26.5335000              0.0122540        
  6     16.5704000              0.0035430        
  7     10.3303000             -0.1902040        
  8      4.1481000              0.6083250        
  9      2.5161300              1.8067300        
 10      1.1659700            -11.0626930        
 11      0.6451250             17.0783340        
 12      0.3370100            -11.8732290        
 13      0.1365970              4.0836260        
 14      0.0726290              1.6705390        
 15      0.0358930             -4.4656650        
S   1
  1      0.0178820              1.0000000        
S   1
  1      0.0089000              1.0000000        
P   12
  1     86.6065000              0.0001400        
  2     15.1555000             -0.0027860        
  3      9.4658000              0.0414510        
  4      5.9125200             -0.0844130        
  5      3.4533700             -0.1174270        
  6      1.3761100              0.2476830        
  7      0.7768660              0.4294190        
  8      0.4273720              0.3444380        
  9      0.2277060              0.1265660        
 10      0.1153640              0.0157100        
 11      0.0594000              0.0020970        
 12      0.0308990              0.0000650        
P   12
  1     86.6065000             -0.0000440        
  2     15.1555000              0.0008580        
  3      9.4658000             -0.0129840        
  4      5.9125200              0.0279860        
  5      3.4533700              0.0338730        
  6      1.3761100             -0.0874800        
  7      0.7768660             -0.1562140        
  8      0.4273720             -0.1592300        
  9      0.2277060              0.0235440        
 10      0.1153640              0.3088570        
 11      0.0594000              0.4574650        
 12      0.0308990              0.3009240        
P   12
  1     86.6065000             -0.0000620        
  2     15.1555000              0.0011810        
  3      9.4658000             -0.0181900        
  4      5.9125200              0.0389740        
  5      3.4533700              0.0490940        
  6      1.3761100             -0.1251510        
  7      0.7768660             -0.2201010        
  8      0.4273720             -0.2475300        
  9      0.2277060              0.0930910        
 10      0.1153640              0.5777970        
 11      0.0594000              0.4254600        
 12      0.0308990              0.0751780        
P   12
  1     86.6065000             -0.0001100        
  2     15.1555000              0.0020370        
  3      9.4658000             -0.0330270        
  4      5.9125200              0.0709340        
  5      3.4533700              0.0977790        
  6      1.3761100             -0.2496370        
  7      0.7768660             -0.6860450        
  8      0.4273720             -0.1064010        
  9      0.2277060              1.4075580        
 10      0.1153640              0.1883270        
 11      0.0594000             -0.8765300        
 12      0.0308990             -0.2006530        
P   12
  1     86.6065000             -0.0001910        
  2     15.1555000              0.0042620        
  3      9.4658000             -0.0558950        
  4      5.9125200              0.1186240        
  5      3.4533700              0.1709420        
  6      1.3761100             -0.6916810        
  7      0.7768660             -1.3598380        
  8      0.4273720              2.7069520        
  9      0.2277060             -0.0578670        
 10      0.1153640             -2.2241640        
 11      0.0594000              1.0666880        
 12      0.0308990              0.3815510        
P   12
  1     86.6065000              0.0002860        
  2     15.1555000             -0.0058940        
  3      9.4658000              0.0919740        
  4      5.9125200             -0.2208550        
  5      3.4533700             -0.2793470        
  6      1.3761100              2.7044810        
  7      0.7768660             -2.1500230        
  8      0.4273720             -2.6396310        
  9      0.2277060              5.5738310        
 10      0.1153640             -4.0538370        
 11      0.0594000              0.7783170        
 12      0.0308990              0.5650840        
P   1
  1      0.0158570              1.0000000        
P   1
  1      0.0081000              1.0000000        
D   10
  1     49.5067000              0.0001540        
  2     13.9303000              0.0014270        
  3      5.2603900             -0.0095780        
  4      2.0331900              0.0419560        
  5      1.2191700              0.1254610        
  6      0.7111020              0.2125620        
  7      0.3899280              0.2823830        
  8      0.2023760              0.2859490        
  9      0.1018700              0.2155050        
 10      0.0503430              0.1051110        
D   10
  1     49.5067000             -0.0001900        
  2     13.9303000             -0.0015510        
  3      5.2603900              0.0106460        
  4      2.0331900             -0.0542150        
  5      1.2191700             -0.1539970        
  6      0.7111020             -0.2639730        
  7      0.3899280             -0.2811660        
  8      0.2023760              0.0220550        
  9      0.1018700              0.4048750        
 10      0.0503430              0.4290200        
D   10
  1     49.5067000              0.0002770        
  2     13.9303000              0.0021470        
  3      5.2603900             -0.0149450        
  4      2.0331900              0.0922390        
  5      1.2191700              0.2523180        
  6      0.7111020              0.3886540        
  7      0.3899280              0.0101690        
  8      0.2023760             -0.7329550        
  9      0.1018700             -0.3380690        
 10      0.0503430              0.5765170        
D   10
  1     49.5067000             -0.0003420        
  2     13.9303000             -0.0034860        
  3      5.2603900              0.0250340        
  4      2.0331900             -0.1574730        
  5      1.2191700             -0.4752710        
  6      0.7111020             -0.4707610        
  7      0.3899280              1.2586620        
  8      0.2023760              0.2702640        
  9      0.1018700             -1.2589810        
 10      0.0503430              0.2159450        
D   10
  1     49.5067000              0.0006720        
  2     13.9303000              0.0040810        
  3      5.2603900             -0.0349770        
  4      2.0331900              0.2975460        
  5      1.2191700              1.1675020        
  6      0.7111020             -1.3250430        
  7      0.3899280             -1.1404310        
  8      0.2023760              2.5067660        
  9      0.1018700             -1.3125060        
 10      0.0503430             -0.4784940        
D   1
  1      0.0237770              1.0000000        
D   1
  1      0.0112000              1.0000000        
F   1
  1      2.3842000              1.0000000        
F   1
  1      0.8475000              1.0000000        
F   1
  1      0.3013000              1.0000000        
F   1
  1      0.1071000              1.0000000        
F   1
  1      0.0381000              1.0000000        
G   1
  1      1.2410000              1.0000000        
G   1
  1      0.4615000              1.0000000        
G   1
  1      0.1716000              1.0000000        
G   1
  1      0.0595000              1.0000000        
H   1
  1      0.9257000              1.0000000        
H   1
  1      0.3118000              1.0000000        
H   1
  1      0.1093000              1.0000000        
I   1
  1      0.5877000              1.0000000        
I   1
  1      0.2013000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Nb
data:
NIOBIUM
S   15
  1  16724.4000000              0.0000020        
  2   2802.5700000              0.0000130        
  3    620.6060000              0.0000690        
  4    169.9940000              0.0002180        
  5     28.9091000              0.0066770        
  6     17.9890000             -0.0524340        
  7     11.0810000              0.1685240        
  8      4.5084100             -0.3071400        
  9      2.7740400             -0.3656480        
 10      1.2785800              0.3577500        
 11      0.7104820              0.6677810        
 12      0.3712440              0.3219880        
 13      0.1537620              0.0288090        
 14      0.0799430             -0.0032060        
 15      0.0390490              0.0028630        
S   15
  1  16724.4000000             -0.0000010        
  2   2802.5700000             -0.0000050        
  3    620.6060000             -0.0000230        
  4    169.9940000             -0.0000770        
  5     28.9091000             -0.0020080        
  6     17.9890000              0.0163130        
  7     11.0810000             -0.0546570        
  8      4.5084100              0.1123230        
  9      2.7740400              0.1171300        
 10      1.2785800             -0.1444410        
 11      0.7104820             -0.3105620        
 12      0.3712440             -0.2723990        
 13      0.1537620              0.1005350        
 14      0.0799430              0.5285960        
 15      0.0390490              0.4926760        
S   15
  1  16724.4000000             -0.0000010        
  2   2802.5700000             -0.0000080        
  3    620.6060000             -0.0000520        
  4    169.9940000             -0.0001220        
  5     28.9091000             -0.0050290        
  6     17.9890000              0.0359710        
  7     11.0810000             -0.1144670        
  8      4.5084100              0.2525740        
  9      2.7740400              0.2025510        
 10      1.2785800             -0.2624260        
 11      0.7104820             -1.1754450        
 12      0.3712440              0.1947830        
 13      0.1537620              1.8814740        
 14      0.0799430             -0.1487580        
 15      0.0390490             -0.9365280        
S   15
  1  16724.4000000             -0.0000020        
  2   2802.5700000             -0.0000130        
  3    620.6060000             -0.0000860        
  4    169.9940000             -0.0001830        
  5     28.9091000             -0.0081350        
  6     17.9890000              0.0565980        
  7     11.0810000             -0.1814640        
  8      4.5084100              0.4395510        
  9      2.7740400              0.3370230        
 10      1.2785800             -0.9136540        
 11      0.7104820             -2.3968250        
 12      0.3712440              3.9390540        
 13      0.1537620             -0.1056110        
 14      0.0799430             -2.9373520        
 15      0.0390490              1.4465500        
S   15
  1  16724.4000000              0.0000010        
  2   2802.5700000              0.0000370        
  3    620.6060000             -0.0000340        
  4    169.9940000              0.0008940        
  5     28.9091000             -0.0133320        
  6     17.9890000              0.0173350        
  7     11.0810000              0.0954540        
  8      4.5084100             -0.1928160        
  9      2.7740400             -1.4302220        
 10      1.2785800              4.9562710        
 11      0.7104820             -3.0055020        
 12      0.3712440             -3.3620400        
 13      0.1537620              7.7844360        
 14      0.0799430             -6.4326700        
 15      0.0390490              1.0110800        
S   15
  1  16724.4000000              0.0000050        
  2   2802.5700000              0.0000240        
  3    620.6060000              0.0001970        
  4    169.9940000              0.0003220        
  5     28.9091000              0.0193240        
  6     17.9890000             -0.1272330        
  7     11.0810000              0.4126080        
  8      4.5084100             -1.3351400        
  9      2.7740400             -0.6681470        
 10      1.2785800             10.4666180        
 11      0.7104820            -18.0167040        
 12      0.3712440             14.2476880        
 13      0.1537620             -7.4149890        
 14      0.0799430              1.6768070        
 15      0.0390490              2.5528660        
S   1
  1      0.0192340              1.0000000        
S   1
  1      0.0095000              1.0000000        
P   12
  1     94.5740000              0.0001420        
  2     16.5451000             -0.0031230        
  3     10.3353000              0.0437240        
  4      6.4556800             -0.0866590        
  5      3.7818500             -0.1242440        
  6      1.5100900              0.2599500        
  7      0.8529130              0.4352490        
  8      0.4705510              0.3351180        
  9      0.2525070              0.1215810        
 10      0.1277120              0.0157470        
 11      0.0654580              0.0016820        
 12      0.0337640              0.0001400        
P   12
  1     94.5740000             -0.0000460        
  2     16.5451000              0.0009760        
  3     10.3353000             -0.0139150        
  4      6.4556800              0.0292850        
  5      3.7818500              0.0364390        
  6      1.5100900             -0.0941250        
  7      0.8529130             -0.1629130        
  8      0.4705510             -0.1532280        
  9      0.2525070              0.0361760        
 10      0.1277120              0.3110250        
 11      0.0654580              0.4523680        
 12      0.0337640              0.2988230        
P   12
  1     94.5740000             -0.0000660        
  2     16.5451000              0.0013990        
  3     10.3353000             -0.0202860        
  4      6.4556800              0.0423910        
  5      3.7818500              0.0552160        
  6      1.5100900             -0.1407040        
  7      0.8529130             -0.2444300        
  8      0.4705510             -0.2446420        
  9      0.2525070              0.1472680        
 10      0.1277120              0.5842200        
 11      0.0654580              0.3942580        
 12      0.0337640              0.0651680        
P   12
  1     94.5740000             -0.0001150        
  2     16.5451000              0.0023020        
  3     10.3353000             -0.0357330        
  4      6.4556800              0.0752340        
  5      3.7818500              0.1080190        
  6      1.5100900             -0.2970280        
  7      0.8529130             -0.6997760        
  8      0.4705510              0.0090570        
  9      0.2525070              1.3704750        
 10      0.1277120              0.1113480        
 11      0.0654580             -0.8573660        
 12      0.0337640             -0.1922890        
P   12
  1     94.5740000             -0.0001840        
  2     16.5451000              0.0040050        
  3     10.3353000             -0.0585500        
  4      6.4556800              0.1213400        
  5      3.7818500              0.2110750        
  6      1.5100900             -0.9360120        
  7      0.8529130             -1.0533120        
  8      0.4705510              2.7306070        
  9      0.2525070             -0.3402500        
 10      0.1277120             -2.0389740        
 11      0.0654580              1.0662180        
 12      0.0337640              0.3529060        
P   12
  1     94.5740000              0.0002510        
  2     16.5451000             -0.0043200        
  3     10.3353000              0.0899560        
  4      6.4556800             -0.2212470        
  5      3.7818500             -0.3110130        
  6      1.5100900              3.0553130        
  7      0.8529130             -3.0340750        
  8      0.4705510             -1.7190450        
  9      0.2525070              5.1664290        
 10      0.1277120             -4.1195420        
 11      0.0654580              0.9937460        
 12      0.0337640              0.4670990        
P   1
  1      0.0171550              1.0000000        
P   1
  1      0.0087000              1.0000000        
D   10
  1    112.0840000              0.0000420        
  2     33.7714000              0.0003440        
  3     12.4751000              0.0022140        
  4      6.3293900             -0.0097510        
  5      2.0214400              0.0761190        
  6      1.1232800              0.2035310        
  7      0.5991810              0.2930090        
  8      0.3098940              0.3059440        
  9      0.1547090              0.2411420        
 10      0.0740910              0.1253140        
D   10
  1    112.0840000             -0.0000420        
  2     33.7714000             -0.0004380        
  3     12.4751000             -0.0022120        
  4      6.3293900              0.0103000        
  5      2.0214400             -0.0981300        
  6      1.1232800             -0.2489670        
  7      0.5991810             -0.3295230        
  8      0.3098940             -0.0858720        
  9      0.1547090              0.3473660        
 10      0.0740910              0.4902950        
D   10
  1    112.0840000              0.0000570        
  2     33.7714000              0.0007230        
  3     12.4751000              0.0029330        
  4      6.3293900             -0.0146300        
  5      2.0214400              0.1827690        
  6      1.1232800              0.4323530        
  7      0.5991810              0.2343910        
  8      0.3098940             -0.6322730        
  9      0.1547090             -0.5550090        
 10      0.0740910              0.4840240        
D   10
  1    112.0840000             -0.0000690        
  2     33.7714000             -0.0010950        
  3     12.4751000             -0.0038530        
  4      6.3293900              0.0215400        
  5      2.0214400             -0.3290370        
  6      1.1232800             -0.7370970        
  7      0.5991810              0.7345520        
  8      0.3098940              0.9807020        
  9      0.1547090             -1.2603090        
 10      0.0740910             -0.1615170        
D   10
  1    112.0840000              0.0002360        
  2     33.7714000              0.0007700        
  3     12.4751000              0.0109920        
  4      6.3293900             -0.0489550        
  5      2.0214400              0.9087510        
  6      1.1232800              0.2465580        
  7      0.5991810             -2.4626810        
  8      0.3098940              2.3616380        
  9      0.1547090             -0.3014160        
 10      0.0740910             -1.1843040        
D   1
  1      0.0332330              1.0000000        
D   1
  1      0.0149000              1.0000000        
F   1
  1      3.1744000              1.0000000        
F   1
  1      1.1392000              1.0000000        
F   1
  1      0.4088000              1.0000000        
F   1
  1      0.1467000              1.0000000        
F   1
  1      0.0532000              1.0000000        
G   1
  1      1.5463000              1.0000000        
G   1
  1      0.5931000              1.0000000        
G   1
  1      0.2275000              1.0000000        
G   1
  1      0.0835000              1.0000000        
H   1
  1      1.1829000              1.0000000        
H   1
  1      0.4022000              1.0000000        
H   1
  1      0.1491000              1.0000000        
I   1
  1      0.7952000              1.0000000        
I   1
  1      0.3031000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Mo
data:
MOLYBDENUM
S   15
  1  17946.3000000              0.0000020        
  2   3312.2700000              0.0000140        
  3    681.6260000              0.0000780        
  4    180.1620000              0.0002490        
  5     30.6673000              0.0071150        
  6     19.1509000             -0.0564880        
  7     11.8941000              0.1781580        
  8      4.8981400             -0.3068990        
  9      3.0488500             -0.3822290        
 10      1.3981700              0.3634910        
 11      0.7820320              0.6697260        
 12      0.4090740              0.3223120        
 13      0.1705450              0.0289300        
 14      0.0879630             -0.0031730        
 15      0.0426100              0.0025270        
S   15
  1  17946.3000000             -0.0000010        
  2   3312.2700000             -0.0000050        
  3    681.6260000             -0.0000260        
  4    180.1620000             -0.0000870        
  5     30.6673000             -0.0021310        
  6     19.1509000              0.0174860        
  7     11.8941000             -0.0574820        
  8      4.8981400              0.1123150        
  9      3.0488500              0.1215130        
 10      1.3981700             -0.1474560        
 11      0.7820320             -0.3094610        
 12      0.4090740             -0.2639230        
 13      0.1705450              0.0952130        
 14      0.0879630              0.5127540        
 15      0.0426100              0.5003880        
S   15
  1  17946.3000000             -0.0000010        
  2   3312.2700000             -0.0000090        
  3    681.6260000             -0.0000580        
  4    180.1620000             -0.0001500        
  5     30.6673000             -0.0051900        
  6     19.1509000              0.0383330        
  7     11.8941000             -0.1211750        
  8      4.8981400              0.2519100        
  9      3.0488500              0.2282270        
 10      1.3981700             -0.2895420        
 11      0.7820320             -1.1954110        
 12      0.4090740              0.2458690        
 13      0.1705450              1.7947840        
 14      0.0879630             -0.0900170        
 15      0.0426100             -0.9123270        
S   15
  1  17946.3000000             -0.0000020        
  2   3312.2700000             -0.0000150        
  3    681.6260000             -0.0000920        
  4    180.1620000             -0.0002730        
  5     30.6673000             -0.0074740        
  6     19.1509000              0.0579880        
  7     11.8941000             -0.1932500        
  8      4.8981400              0.4439590        
  9      3.0488500              0.4359270        
 10      1.3981700             -1.2061380        
 11      0.7820320             -2.1672290        
 12      0.4090740              3.9971280        
 13      0.1705450             -0.3767490        
 14      0.0879630             -2.6529470        
 15      0.0426100              1.3496510        
S   15
  1  17946.3000000              0.0000010        
  2   3312.2700000              0.0000370        
  3    681.6260000             -0.0000010        
  4    180.1620000              0.0009570        
  5     30.6673000             -0.0129690        
  6     19.1509000              0.0115460        
  7     11.8941000              0.1192690        
  8      4.8981400             -0.1981710        
  9      3.0488500             -1.6808410        
 10      1.3981700              6.1767120        
 11      0.7820320             -5.0128880        
 12      0.4090740             -1.8552510        
 13      0.1705450              7.0831250        
 14      0.0879630             -6.3689880        
 15      0.0426100              1.3848040        
S   15
  1  17946.3000000              0.0000120        
  2   3312.2700000             -0.0000230        
  3    681.6260000              0.0006300        
  4    180.1620000             -0.0014220        
  5     30.6673000              0.0933800        
  6     19.1509000             -0.4224160        
  7     11.8941000              0.9137280        
  8      4.8981400             -2.7770120        
  9      3.0488500              1.4805520        
 10      1.3981700              8.7304160        
 11      0.7820320            -17.4963080        
 12      0.4090740             15.3033290        
 13      0.1705450             -9.6104950        
 14      0.0879630              4.1565130        
 15      0.0426100              0.9517470        
S   1
  1      0.0208110              1.0000000        
S   1
  1      0.0102000              1.0000000        
P   12
  1    102.2090000              0.0001490        
  2     18.0149000             -0.0033980        
  3     11.2538000              0.0452000        
  4      7.0300000             -0.0862460        
  5      4.1583100             -0.1309050        
  6      1.6481100              0.2680230        
  7      0.9379610              0.4347230        
  8      0.5200570              0.3319940        
  9      0.2791940              0.1196780        
 10      0.1411090              0.0152740        
 11      0.0720550              0.0016430        
 12      0.0368770              0.0001240        
P   12
  1    102.2090000             -0.0000480        
  2     18.0149000              0.0010590        
  3     11.2538000             -0.0143500        
  4      7.0300000              0.0291870        
  5      4.1583100              0.0383440        
  6      1.6481100             -0.0974270        
  7      0.9379610             -0.1625480        
  8      0.5200570             -0.1479750        
  9      0.2791940              0.0386590        
 10      0.1411090              0.3035940        
 11      0.0720550              0.4473500        
 12      0.0368770              0.3065650        
P   12
  1    102.2090000             -0.0000730        
  2     18.0149000              0.0015950        
  3     11.2538000             -0.0220460        
  4      7.0300000              0.0445480        
  5      4.1583100              0.0614870        
  6      1.6481100             -0.1553960        
  7      0.9379610             -0.2658560        
  8      0.5200570             -0.2329270        
  9      0.2791940              0.1881850        
 10      0.1411090              0.5757960        
 11      0.0720550              0.3740800        
 12      0.0368770              0.0636110        
P   12
  1    102.2090000             -0.0001230        
  2     18.0149000              0.0024130        
  3     11.2538000             -0.0377930        
  4      7.0300000              0.0773360        
  5      4.1583100              0.1215660        
  6      1.6481100             -0.3489250        
  7      0.9379610             -0.7201340        
  8      0.5200570              0.1376370        
  9      0.2791940              1.3208230        
 10      0.1411090              0.0390320        
 11      0.0720550             -0.8284200        
 12      0.0368770             -0.1838630        
P   12
  1    102.2090000             -0.0001910        
  2     18.0149000              0.0034760        
  3     11.2538000             -0.0594480        
  4      7.0300000              0.1202930        
  5      4.1583100              0.2507130        
  6      1.6481100             -1.1954440        
  7      0.9379610             -0.7223340        
  8      0.5200570              2.7509010        
  9      0.2791940             -0.6597320        
 10      0.1411090             -1.8013110        
 11      0.0720550              1.0385280        
 12      0.0368770              0.3234930        
P   12
  1    102.2090000             -0.0005380        
  2     18.0149000              0.0166440        
  3     11.2538000             -0.1479290        
  4      7.0300000              0.3297030        
  5      4.1583100              0.2785650        
  6      1.6481100             -3.7475860        
  7      0.9379610              4.8285370        
  8      0.5200570             -0.3926750        
  9      0.2791940             -3.7726170        
 10      0.1411090              3.6464610        
 11      0.0720550             -1.0065150        
 12      0.0368770             -0.4055450        
P   1
  1      0.0185410              1.0000000        
P   1
  1      0.0093000              1.0000000        
D   10
  1    121.6940000              0.0000430        
  2     37.9153000              0.0003210        
  3     13.8001000              0.0024520        
  4      7.0341100             -0.0129520        
  5      2.2296100              0.0869780        
  6      1.2332600              0.2230470        
  7      0.6580150              0.3057440        
  8      0.3408490              0.3010910        
  9      0.1702370              0.2211450        
 10      0.0814650              0.1061110        
D   10
  1    121.6940000             -0.0000420        
  2     37.9153000             -0.0003950        
  3     13.8001000             -0.0024260        
  4      7.0341100              0.0136530        
  5      2.2296100             -0.1074850        
  6      1.2332600             -0.2745980        
  7      0.6580150             -0.3226190        
  8      0.3408490             -0.0193610        
  9      0.1702370              0.3880950        
 10      0.0814650              0.4635180        
D   10
  1    121.6940000              0.0000560        
  2     37.9153000              0.0007130        
  3     13.8001000              0.0032640        
  4      7.0341100             -0.0203340        
  5      2.2296100              0.2195370        
  6      1.2332600              0.4896540        
  7      0.6580150              0.1146290        
  8      0.3408490             -0.7253560        
  9      0.1702370             -0.4021370        
 10      0.0814650              0.5394560        
D   10
  1    121.6940000             -0.0001490        
  2     37.9153000             -0.0004390        
  3     13.8001000             -0.0073650        
  4      7.0341100              0.0369350        
  5      2.2296100             -0.3927060        
  6      1.2332600             -0.7854210        
  7      0.6580150              1.1451810        
  8      0.3408490              0.5581360        
  9      0.1702370             -1.2765790        
 10      0.0814650              0.0826430        
D   10
  1    121.6940000              0.0003820        
  2     37.9153000             -0.0002090        
  3     13.8001000              0.0165020        
  4      7.0341100             -0.0730110        
  5      2.2296100              1.1663390        
  6      1.2332600             -0.3354510        
  7      0.6580150             -2.1052470        
  8      0.3408490              2.6473930        
  9      0.1702370             -0.9034610        
 10      0.0814650             -0.7865590        
D   1
  1      0.0364040              1.0000000        
D   1
  1      0.0163000              1.0000000        
F   1
  1      3.7483000              1.0000000        
F   1
  1      1.3601000              1.0000000        
F   1
  1      0.4935000              1.0000000        
F   1
  1      0.1791000              1.0000000        
F   1
  1      0.0655000              1.0000000        
G   1
  1      1.8089000              1.0000000        
G   1
  1      0.7028000              1.0000000        
G   1
  1      0.2731000              1.0000000        
G   1
  1      0.1025000              1.0000000        
H   1
  1      1.4359000              1.0000000        
H   1
  1      0.4989000              1.0000000        
H   1
  1      0.1932000              1.0000000        
I   1
  1      1.0504000              1.0000000        
I   1
  1      0.4412000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Tc
data:
TECHNETIUM
S   15
  1  17206.1000000              0.0000030        
  2   2992.5600000              0.0000170        
  3    736.9910000              0.0000800        
  4    205.5530000              0.0002670        
  5     33.2151000              0.0078690        
  6     20.6748000             -0.0601480        
  7     12.9128000              0.1800930        
  8      4.9296000             -0.3959580        
  9      3.0780000             -0.3043510        
 10      1.4330700              0.4631650        
 11      0.7850940              0.6506150        
 12      0.4109580              0.2611890        
 13      0.1635520              0.0193360        
 14      0.0831080             -0.0022600        
 15      0.0412910              0.0023790        
S   15
  1  17206.1000000             -0.0000010        
  2   2992.5600000             -0.0000060        
  3    736.9910000             -0.0000250        
  4    205.5530000             -0.0000930        
  5     33.2151000             -0.0022740        
  6     20.6748000              0.0180760        
  7     12.9128000             -0.0566300        
  8      4.9296000              0.1415000        
  9      3.0780000              0.0896770        
 10      1.4330700             -0.1820780        
 11      0.7850940             -0.3110970        
 12      0.4109580             -0.2195910        
 13      0.1635520              0.1661460        
 14      0.0831080              0.5216880        
 15      0.0412910              0.4406250        
S   15
  1  17206.1000000             -0.0000020        
  2   2992.5600000             -0.0000110        
  3    736.9910000             -0.0000590        
  4    205.5530000             -0.0001670        
  5     33.2151000             -0.0056120        
  6     20.6748000              0.0404370        
  7     12.9128000             -0.1218380        
  8      4.9296000              0.3175450        
  9      3.0780000              0.1761190        
 10      1.4330700             -0.4174700        
 11      0.7850940             -1.2362890        
 12      0.4109580              0.6215290        
 13      0.1635520              1.7319950        
 14      0.0831080             -0.4239580        
 15      0.0412910             -0.7662060        
S   15
  1  17206.1000000             -0.0000030        
  2   2992.5600000             -0.0000230        
  3    736.9910000             -0.0000720        
  4    205.5530000             -0.0003960        
  5     33.2151000             -0.0046100        
  6     20.6748000              0.0479370        
  7     12.9128000             -0.1744360        
  8      4.9296000              0.4931760        
  9      3.0780000              0.4993970        
 10      1.4330700             -1.9457120        
 11      0.7850940             -1.1774070        
 12      0.4109580              3.8949770        
 13      0.1635520             -1.4291270        
 14      0.0831080             -1.7103600        
 15      0.0412910              1.2744810        
S   15
  1  17206.1000000             -0.0000030        
  2   2992.5600000             -0.0000400        
  3    736.9910000             -0.0000510        
  4    205.5530000             -0.0007450        
  5     33.2151000              0.0014000        
  6     20.6748000              0.0362900        
  7     12.9128000             -0.2004820        
  8      4.9296000              0.6195120        
  9      3.0780000              1.2301670        
 10      1.4330700             -7.0589450        
 11      0.7850940              8.0335410        
 12      0.4109580             -1.7154560        
 13      0.1635520             -4.7009650        
 14      0.0831080              5.7932860        
 15      0.0412910             -1.9433410        
S   15
  1  17206.1000000              0.0000250        
  2   2992.5600000             -0.0001240        
  3    736.9910000              0.0012600        
  4    205.5530000             -0.0035430        
  5     33.2151000              0.1803670        
  6     20.6748000             -0.7581280        
  7     12.9128000              1.3999600        
  8      4.9296000             -5.0560170        
  9      3.0780000              5.9286850        
 10      1.4330700              2.6361380        
 11      0.7850940            -11.8324410        
 12      0.4109580             12.9918620        
 13      0.1635520            -10.5254010        
 14      0.0831080              6.9318900        
 15      0.0412910             -1.1637260        
S   1
  1      0.0206960              1.0000000        
S   1
  1      0.0104000              1.0000000        
P   12
  1    110.0940000              0.0001580        
  2     19.3763000             -0.0035820        
  3     12.1039000              0.0473040        
  4      7.5605900             -0.0901640        
  5      4.4880700             -0.1347230        
  6      1.8095700              0.2693510        
  7      1.0365700              0.4333910        
  8      0.5792180              0.3307410        
  9      0.3137450              0.1231930        
 10      0.1568500              0.0166350        
 11      0.0791520              0.0012880        
 12      0.0399360              0.0002620        
P   12
  1    110.0940000             -0.0000490        
  2     19.3763000              0.0010780        
  3     12.1039000             -0.0146590        
  4      7.5605900              0.0298090        
  5      4.4880700              0.0388170        
  6      1.8095700             -0.0965520        
  7      1.0365700             -0.1579670        
  8      0.5792180             -0.1427920        
  9      0.3137450              0.0305240        
 10      0.1568500              0.2884550        
 11      0.0791520              0.4457180        
 12      0.0399360              0.3220300        
P   12
  1    110.0940000             -0.0000790        
  2     19.3763000              0.0016840        
  3     12.1039000             -0.0237720        
  4      7.5605900              0.0481110        
  5      4.4880700              0.0666930        
  6      1.8095700             -0.1659810        
  7      1.0365700             -0.2832980        
  8      0.5792180             -0.2222080        
  9      0.3137450              0.2074440        
 10      0.1568500              0.5684030        
 11      0.0791520              0.3674650        
 12      0.0399360              0.0638710        
P   12
  1    110.0940000             -0.0001250        
  2     19.3763000              0.0020880        
  3     12.1039000             -0.0385470        
  4      7.5605900              0.0786910        
  5      4.4880700              0.1379870        
  6      1.8095700             -0.3919830        
  7      1.0365700             -0.7350740        
  8      0.5792180              0.2126760        
  9      0.3137450              1.2695030        
 10      0.1568500              0.0245080        
 11      0.0791520             -0.8141240        
 12      0.0399360             -0.1766070        
P   12
  1    110.0940000             -0.0002190        
  2     19.3763000              0.0039020        
  3     12.1039000             -0.0643300        
  4      7.5605900              0.1283100        
  5      4.4880700              0.2820210        
  6      1.8095700             -1.3761600        
  7      1.0365700             -0.5105690        
  8      0.5792180              2.7459000        
  9      0.3137450             -0.8167420        
 10      0.1568500             -1.6588020        
 11      0.0791520              0.9996640        
 12      0.0399360              0.3109130        
P   12
  1    110.0940000             -0.0010540        
  2     19.3763000              0.0402010        
  3     12.1039000             -0.2586290        
  4      7.5605900              0.5555950        
  5      4.4880700              0.1224290        
  6      1.8095700             -4.1679360        
  7      1.0365700              6.0659110        
  8      0.5792180             -1.9093600        
  9      0.3137450             -2.6276470        
 10      0.1568500              3.0442550        
 11      0.0791520             -0.8378840        
 12      0.0399360             -0.4207810        
P   1
  1      0.0198050              1.0000000        
P   1
  1      0.0098000              1.0000000        
D   10
  1    147.8790000              0.0000380        
  2     44.5973000              0.0003130        
  3     15.8122000              0.0024000        
  4      7.7441100             -0.0134860        
  5      2.4373000              0.0953100        
  6      1.3541800              0.2361570        
  7      0.7240750              0.3127100        
  8      0.3757400              0.2948200        
  9      0.1881510              0.2069870        
 10      0.0902200              0.0958940        
D   10
  1    147.8790000             -0.0000380        
  2     44.5973000             -0.0003480        
  3     15.8122000             -0.0024090        
  4      7.7441100              0.0140090        
  5      2.4373000             -0.1101300        
  6      1.3541800             -0.2888920        
  7      0.7240750             -0.3137240        
  8      0.3757400              0.0168230        
  9      0.1881510              0.4061120        
 10      0.0902200              0.4507060        
D   10
  1    147.8790000             -0.0000590        
  2     44.5973000             -0.0006690        
  3     15.8122000             -0.0036400        
  4      7.7441100              0.0229510        
  5      2.4373000             -0.2570080        
  6      1.3541800             -0.5438730        
  7      0.7240750              0.0003200        
  8      0.3757400              0.7907550        
  9      0.1881510              0.2692510        
 10      0.0902200             -0.5643750        
D   10
  1    147.8790000             -0.0002210        
  2     44.5973000              0.0001240        
  3     15.8122000             -0.0105590        
  4      7.7441100              0.0483530        
  5      2.4373000             -0.5085800        
  6      1.3541800             -0.7230890        
  7      0.7240750              1.4798980        
  8      0.3757400              0.0851340        
  9      0.1881510             -1.1676390        
 10      0.0902200              0.2485510        
D   10
  1    147.8790000              0.0004320        
  2     44.5973000             -0.0008250        
  3     15.8122000              0.0195710        
  4      7.7441100             -0.0868210        
  5      2.4373000              1.3937670        
  6      1.3541800             -0.9352970        
  7      0.7240750             -1.5827330        
  8      0.3757400              2.6826090        
  9      0.1881510             -1.3200450        
 10      0.0902200             -0.4836410        
D   1
  1      0.0403970              1.0000000        
D   1
  1      0.0181000              1.0000000        
F   1
  1      4.2418000              1.0000000        
F   1
  1      1.5614000              1.0000000        
F   1
  1      0.5748000              1.0000000        
F   1
  1      0.2116000              1.0000000        
F   1
  1      0.0779000              1.0000000        
G   1
  1      2.0938000              1.0000000        
G   1
  1      0.8341000              1.0000000        
G   1
  1      0.3322000              1.0000000        
G   1
  1      0.1284000              1.0000000        
H   1
  1      1.6854000              1.0000000        
H   1
  1      0.6024000              1.0000000        
H   1
  1      0.2422000              1.0000000        
I   1
  1      1.2796000              1.0000000        
I   1
  1      0.5725000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Ru
data:
RUTHENIUM
S   15
  1  19299.8000000              0.0000030        
  2   3177.3700000              0.0000200        
  3    765.8330000              0.0000950        
  4    211.4960000              0.0003080        
  5     35.0757000              0.0083090        
  6     21.9030000             -0.0632120        
  7     13.6802000              0.1901360        
  8      5.3150900             -0.4067830        
  9      3.3134900             -0.3157160        
 10      1.5814300              0.4593270        
 11      0.8643690              0.6609700        
 12      0.4506120              0.2670720        
 13      0.1789360              0.0199530        
 14      0.0912570             -0.0021010        
 15      0.0451000              0.0026110        
S   15
  1  19299.8000000             -0.0000010        
  2   3177.3700000             -0.0000070        
  3    765.8330000             -0.0000300        
  4    211.4960000             -0.0001060        
  5     35.0757000             -0.0023580        
  6     21.9030000              0.0187130        
  7     13.6802000             -0.0590350        
  8      5.3150900              0.1438090        
  9      3.3134900              0.0917470        
 10      1.5814300             -0.1785050        
 11      0.8643690             -0.3084170        
 12      0.4506120             -0.2157970        
 13      0.1789360              0.1485450        
 14      0.0912570              0.4989270        
 15      0.0451000              0.4586780        
S   15
  1  19299.8000000             -0.0000020        
  2   3177.3700000             -0.0000140        
  3    765.8330000             -0.0000720        
  4    211.4960000             -0.0002090        
  5     35.0757000             -0.0060060        
  6     21.9030000              0.0437210        
  7     13.6802000             -0.1337450        
  8      5.3150900              0.3399780        
  9      3.3134900              0.2018620        
 10      1.5814300             -0.4762560        
 11      0.8643690             -1.2530110        
 12      0.4506120              0.6941080        
 13      0.1789360              1.6393940        
 14      0.0912570             -0.3814940        
 15      0.0451000             -0.7088780        
S   15
  1  19299.8000000             -0.0000030        
  2   3177.3700000             -0.0000270        
  3    765.8330000             -0.0000770        
  4    211.4960000             -0.0004640        
  5     35.0757000             -0.0034310        
  6     21.9030000              0.0435600        
  7     13.6802000             -0.1685750        
  8      5.3150900              0.4213160        
  9      3.3134900              0.6761790        
 10      1.5814300             -2.1415420        
 11      0.8643690             -0.9179220        
 12      0.4506120              3.5933410        
 13      0.1789360             -1.1992150        
 14      0.0912570             -1.7139110        
 15      0.0451000              1.0266150        
S   15
  1  19299.8000000              0.0000040        
  2   3177.3700000              0.0000430        
  3    765.8330000              0.0000790        
  4    211.4960000              0.0007840        
  5     35.0757000             -0.0002520        
  6     21.9030000             -0.0414040        
  7     13.6802000              0.2122220        
  8      5.3150900             -0.6129970        
  9      3.3134900             -1.3029140        
 10      1.5814300              6.8391020        
 11      0.8643690             -7.3342220        
 12      0.4506120              1.1444100        
 13      0.1789360              4.6239940        
 14      0.0912570             -4.9835290        
 15      0.0451000              0.9748290        
S   15
  1  19299.8000000              0.0000230        
  2   3177.3700000             -0.0000980        
  3    765.8330000              0.0012210        
  4    211.4960000             -0.0032650        
  5     35.0757000              0.1737770        
  6     21.9030000             -0.7367660        
  7     13.6802000              1.3965620        
  8      5.3150900             -4.9906930        
  9      3.3134900              5.7228190        
 10      1.5814300              2.9121610        
 11      0.8643690            -11.6124150        
 12      0.4506120             11.9740470        
 13      0.1789360             -8.5025420        
 14      0.0912570              4.2242350        
 15      0.0451000              0.7743310        
S   1
  1      0.0223550              1.0000000        
S   1
  1      0.0111000              1.0000000        
P   12
  1    117.2370000              0.0001710        
  2     20.7333000             -0.0037910        
  3     12.9507000              0.0494600        
  4      8.0899500             -0.0935020        
  5      4.8490800             -0.1382150        
  6      1.9778800              0.2683490        
  7      1.1455500              0.4277090        
  8      0.6482270              0.3304950        
  9      0.3551440              0.1309020        
 10      0.1744130              0.0189890        
 11      0.0869520              0.0007960        
 12      0.0431790              0.0004620        
P   12
  1    117.2370000             -0.0000510        
  2     20.7333000              0.0010780        
  3     12.9507000             -0.0146490        
  4      8.0899500              0.0296310        
  5      4.8490800              0.0382110        
  6      1.9778800             -0.0928960        
  7      1.1455500             -0.1473950        
  8      0.6482270             -0.1359030        
  9      0.3551440              0.0164930        
 10      0.1744130              0.2619010        
 11      0.0869520              0.4379230        
 12      0.0431790              0.3491360        
P   12
  1    117.2370000             -0.0000900        
  2     20.7333000              0.0017770        
  3     12.9507000             -0.0260710        
  4      8.0899500              0.0524460        
  5      4.8490800              0.0750510        
  6      1.9778800             -0.1829280        
  7      1.1455500             -0.3078280        
  8      0.6482270             -0.2185800        
  9      0.3551440              0.2422150        
 10      0.1744130              0.5764140        
 11      0.0869520              0.3424880        
 12      0.0431790              0.0576060        
P   12
  1    117.2370000             -0.0001290        
  2     20.7333000              0.0015970        
  3     12.9507000             -0.0386800        
  4      8.0899500              0.0772870        
  5      4.8490800              0.1607700        
  6      1.9778800             -0.4461050        
  7      1.1455500             -0.7576460        
  8      0.6482270              0.3046770        
  9      0.3551440              1.2331310        
 10      0.1744130             -0.0284230        
 11      0.0869520             -0.8005390        
 12      0.0431790             -0.1561480        
P   12
  1    117.2370000             -0.0002780        
  2     20.7333000              0.0057760        
  3     12.9507000             -0.0753300        
  4      8.0899500              0.1453890        
  5      4.8490800              0.3079470        
  6      1.9778800             -1.5692810        
  7      1.1455500             -0.2945160        
  8      0.6482270              2.7715630        
  9      0.3551440             -1.0011960        
 10      0.1744130             -1.5318570        
 11      0.0869520              1.0075060        
 12      0.0431790              0.2768800        
P   12
  1    117.2370000              0.0017130        
  2     20.7333000             -0.0706410        
  3     12.9507000              0.4067880        
  4      8.0899500             -0.8834800        
  5      4.8490800              0.1779200        
  6      1.9778800              4.3766540        
  7      1.1455500             -7.0040540        
  8      0.6482270              3.1071030        
  9      0.3551440              1.7303090        
 10      0.1744130             -2.5752480        
 11      0.0869520              0.7145120        
 12      0.0431790              0.4369110        
P   1
  1      0.0210170              1.0000000        
P   1
  1      0.0102000              1.0000000        
D   10
  1    126.3940000              0.0000620        
  2     38.4493000              0.0004470        
  3     14.0214000              0.0046720        
  4      8.7168300             -0.0197340        
  5      2.6814400              0.1027520        
  6      1.4904300              0.2437180        
  7      0.8005330              0.3148070        
  8      0.4157270              0.2913270        
  9      0.2077370              0.1999600        
 10      0.0994320              0.0897340        
D   10
  1    126.3940000             -0.0000650        
  2     38.4493000             -0.0004850        
  3     14.0214000             -0.0047640        
  4      8.7168300              0.0206400        
  5      2.6814400             -0.1179830        
  6      1.4904300             -0.3073060        
  7      0.8005330             -0.3048730        
  8      0.4157270              0.0527010        
  9      0.2077370              0.4182880        
 10      0.0994320              0.4296250        
D   10
  1    126.3940000             -0.0001260        
  2     38.4493000             -0.0006780        
  3     14.0214000             -0.0084960        
  4      8.7168300              0.0357220        
  5      2.6814400             -0.2630280        
  6      1.4904300             -0.5763400        
  7      0.8005330              0.0800930        
  8      0.4157270              0.7885720        
  9      0.2077370              0.2113330        
 10      0.0994320             -0.5603510        
D   10
  1    126.3940000             -0.0004320        
  2     38.4493000              0.0008930        
  3     14.0214000             -0.0265410        
  4      8.7168300              0.0806860        
  5      2.6814400             -0.6169190        
  6      1.4904300             -0.6312030        
  7      0.8005330              1.5959590        
  8      0.4157270             -0.1385200        
  9      0.2077370             -1.0618020        
 10      0.0994320              0.2800800        
D   10
  1    126.3940000              0.0007420        
  2     38.4493000             -0.0022720        
  3     14.0214000              0.0464760        
  4      8.7168300             -0.1390570        
  5      2.6814400              1.5532480        
  6      1.4904300             -1.3228490        
  7      0.8005330             -1.1972270        
  8      0.4157270              2.5728670        
  9      0.2077370             -1.4467020        
 10      0.0994320             -0.3538990        
D   1
  1      0.0445150              1.0000000        
D   1
  1      0.0199000              1.0000000        
F   1
  1      4.7448000              1.0000000        
F   1
  1      1.7724000              1.0000000        
F   1
  1      0.6621000              1.0000000        
F   1
  1      0.2473000              1.0000000        
F   1
  1      0.0921000              1.0000000        
G   1
  1      2.4116000              1.0000000        
G   1
  1      0.9824000              1.0000000        
G   1
  1      0.4002000              1.0000000        
G   1
  1      0.1590000              1.0000000        
H   1
  1      1.9595000              1.0000000        
H   1
  1      0.7182000              1.0000000        
H   1
  1      0.2989000              1.0000000        
I   1
  1      1.5211000              1.0000000        
I   1
  1      0.7186000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Rh
data:
RHODIUM
S   15
  1  21832.7000000              0.0000030        
  2   3389.9700000              0.0000240        
  3    781.0700000              0.0001140        
  4    216.0190000              0.0003550        
  5     37.1478000              0.0085080        
  6     23.1083000             -0.0660950        
  7     14.4317000              0.2021170        
  8      5.8301800             -0.3922910        
  9      3.6414400             -0.3497620        
 10      1.7443600              0.4436390        
 11      0.9544830              0.6724460        
 12      0.4957220              0.2789020        
 13      0.1972170              0.0213410        
 14      0.1007830             -0.0021650        
 15      0.0493120              0.0028100        
S   15
  1  21832.7000000             -0.0000010        
  2   3389.9700000             -0.0000080        
  3    781.0700000             -0.0000360        
  4    216.0190000             -0.0001200        
  5     37.1478000             -0.0023870        
  6     23.1083000              0.0193000        
  7     14.4317000             -0.0618830        
  8      5.8301800              0.1369210        
  9      3.6414400              0.1016360        
 10      1.7443600             -0.1709760        
 11      0.9544830             -0.3020800        
 12      0.4957220             -0.2162190        
 13      0.1972170              0.1234140        
 14      0.1007830              0.4756350        
 15      0.0493120              0.4790980        
S   15
  1  21832.7000000             -0.0000020        
  2   3389.9700000             -0.0000170        
  3    781.0700000             -0.0000850        
  4    216.0190000             -0.0002460        
  5     37.1478000             -0.0059450        
  6     23.1083000              0.0447560        
  7     14.4317000             -0.1402840        
  8      5.8301800              0.3199220        
  9      3.6414400              0.2438410        
 10      1.7443600             -0.4808860        
 11      0.9544830             -1.2151130        
 12      0.4957220              0.6314320        
 13      0.1972170              1.5229110        
 14      0.1007830             -0.2015840        
 15      0.0493120             -0.6713180        
S   15
  1  21832.7000000             -0.0000030        
  2   3389.9700000             -0.0000290        
  3    781.0700000             -0.0000950        
  4    216.0190000             -0.0004910        
  5     37.1478000             -0.0035990        
  6     23.1083000              0.0443220        
  7     14.4317000             -0.1707100        
  8      5.8301800              0.3489400        
  9      3.6414400              0.7684870        
 10      1.7443600             -2.0291740        
 11      0.9544830             -0.9961410        
 12      0.4957220              3.2909150        
 13      0.1972170             -0.6266260        
 14      0.1007830             -1.9269000        
 15      0.0493120              0.7139260        
S   15
  1  21832.7000000              0.0000040        
  2   3389.9700000              0.0000480        
  3    781.0700000              0.0000980        
  4    216.0190000              0.0008910        
  5     37.1478000             -0.0014470        
  6     23.1083000             -0.0375770        
  7     14.4317000              0.2101840        
  8      5.8301800             -0.4611150        
  9      3.6414400             -1.6108260        
 10      1.7443600              6.8065790        
 11      0.9544830             -6.5983950        
 12      0.4957220              0.3159030        
 13      0.1972170              4.7149700        
 14      0.1007830             -4.2251970        
 15      0.0493120              0.1371840        
S   15
  1  21832.7000000              0.0000210        
  2   3389.9700000             -0.0000690        
  3    781.0700000              0.0012120        
  4    216.0190000             -0.0030230        
  5     37.1478000              0.1639110        
  6     23.1083000             -0.7163330        
  7     14.4317000              1.4184520        
  8      5.8301800             -4.7358790        
  9      3.6414400              4.9303180        
 10      1.7443600              4.0258820        
 11      0.9544830            -12.2373550        
 12      0.4957220             11.5918450        
 13      0.1972170             -7.0765130        
 14      0.1007830              2.2917410        
 15      0.0493120              1.9790030        
S   1
  1      0.0241430              1.0000000        
S   1
  1      0.0118000              1.0000000        
P   12
  1    126.8950000              0.0001770        
  2     22.1563000             -0.0038910        
  3     13.8416000              0.0512340        
  4      8.6498500             -0.0967430        
  5      5.2356500             -0.1392860        
  6      2.0960100              0.2960810        
  7      1.1856100              0.4480270        
  8      0.6548460              0.3157510        
  9      0.3507950              0.1047680        
 10      0.1768320              0.0124100        
 11      0.0893810              0.0014220        
 12      0.0449290              0.0000690        
P   12
  1    126.8950000              0.0000550        
  2     22.1563000             -0.0011520        
  3     13.8416000              0.0156510        
  4      8.6498500             -0.0316240        
  5      5.2356500             -0.0394170        
  6      2.0960100              0.1048950        
  7      1.1856100              0.1629630        
  8      0.6548460              0.1292980        
  9      0.3507950             -0.0504110        
 10      0.1768320             -0.2914830        
 11      0.0893810             -0.4350730        
 12      0.0449290             -0.3172440        
P   12
  1    126.8950000             -0.0000980        
  2     22.1563000              0.0018920        
  3     13.8416000             -0.0283260        
  4      8.6498500              0.0568270        
  5      5.2356500              0.0808640        
  6      2.0960100             -0.2178660        
  7      1.1856100             -0.3557870        
  8      0.6548460             -0.1484260        
  9      0.3507950              0.3299460        
 10      0.1768320              0.5494040        
 11      0.0893810              0.2856970        
 12      0.0449290              0.0470300        
P   12
  1    126.8950000             -0.0001270        
  2     22.1563000              0.0010390        
  3     13.8416000             -0.0381160        
  4      8.6498500              0.0742070        
  5      5.2356500              0.1808650        
  6      2.0960100             -0.5557710        
  7      1.1856100             -0.7574480        
  8      0.6548460              0.6581560        
  9      0.3507950              1.0716110        
 10      0.1768320             -0.2632840        
 11      0.0893810             -0.7078180        
 12      0.0449290             -0.1314850        
P   12
  1    126.8950000              0.0003070        
  2     22.1563000             -0.0066540        
  3     13.8416000              0.0820080        
  4      8.6498500             -0.1565480        
  5      5.2356500             -0.3241510        
  6      2.0960100              1.8842890        
  7      1.1856100             -0.4041380        
  8      0.6548460             -2.5452610        
  9      0.3507950              1.6096150        
 10      0.1768320              1.0050700        
 11      0.0893810             -0.9612990        
 12      0.0449290             -0.2291410        
P   12
  1    126.8950000              0.0027350        
  2     22.1563000             -0.1231310        
  3     13.8416000              0.6519300        
  4      8.6498500             -1.4266700        
  5      5.2356500              0.7856840        
  6      2.0960100              3.8575010        
  7      1.1856100             -7.3253360        
  8      0.6548460              4.8205480        
  9      0.3507950              0.0773280        
 10      0.1768320             -2.0257170        
 11      0.0893810              0.7522250        
 12      0.0449290              0.3812670        
P   1
  1      0.0221180              1.0000000        
P   1
  1      0.0109000              1.0000000        
D   10
  1    169.5310000              0.0000510        
  2     51.2417000              0.0004110        
  3     18.0404000              0.0030420        
  4      8.5880400             -0.0166720        
  5      2.9496700              0.1032810        
  6      1.6544200              0.2481940        
  7      0.8904260              0.3174060        
  8      0.4633730              0.2885080        
  9      0.2323630              0.1951360        
 10      0.1115080              0.0869160        
D   10
  1    169.5310000             -0.0000540        
  2     51.2417000             -0.0004690        
  3     18.0404000             -0.0032240        
  4      8.5880400              0.0181670        
  5      2.9496700             -0.1263380        
  6      1.6544200             -0.3264720        
  7      0.8904260             -0.2963840        
  8      0.4633730              0.0852360        
  9      0.2323630              0.4211570        
 10      0.1115080              0.4122960        
D   10
  1    169.5310000             -0.0001100        
  2     51.2417000             -0.0005680        
  3     18.0404000             -0.0059100        
  4      8.5880400              0.0317740        
  5      2.9496700             -0.2642410        
  6      1.6544200             -0.5975800        
  7      0.8904260              0.1355410        
  8      0.4633730              0.7913050        
  9      0.2323630              0.1657550        
 10      0.1115080             -0.5661660        
D   10
  1    169.5310000             -0.0003860        
  2     51.2417000              0.0006740        
  3     18.0404000             -0.0174990        
  4      8.5880400              0.0777310        
  5      2.9496700             -0.7081600        
  6      1.6544200             -0.5498590        
  7      0.8904260              1.6977800        
  8      0.4633730             -0.3294410        
  9      0.2323630             -0.9849480        
 10      0.1115080              0.3255790        
D   10
  1    169.5310000              0.0005000        
  2     51.2417000             -0.0007080        
  3     18.0404000              0.0238930        
  4      8.5880400             -0.1199090        
  5      2.9496700              1.7336230        
  6      1.6544200             -1.7712510        
  7      0.8904260             -0.7479950        
  8      0.4633730              2.4181170        
  9      0.2323630             -1.5548010        
 10      0.1115080             -0.2245550        
D   1
  1      0.0498560              1.0000000        
D   1
  1      0.0223000              1.0000000        
F   1
  1      5.3897000              1.0000000        
F   1
  1      2.0281000              1.0000000        
F   1
  1      0.7631000              1.0000000        
F   1
  1      0.2872000              1.0000000        
F   1
  1      0.1078000              1.0000000        
G   1
  1      2.7314000              1.0000000        
G   1
  1      1.1306000              1.0000000        
G   1
  1      0.4680000              1.0000000        
G   1
  1      0.1889000              1.0000000        
H   1
  1      2.2344000              1.0000000        
H   1
  1      0.8332000              1.0000000        
H   1
  1      0.3545000              1.0000000        
I   1
  1      1.7562000              1.0000000        
I   1
  1      0.8663000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Pd
data:
PALLADIUM
S   15
  1  23205.8000000              0.0000040        
  2   3771.3900000              0.0000260        
  3    844.9990000              0.0001310        
  4    225.9440000              0.0004110        
  5     38.8963000              0.0090500        
  6     24.1744000             -0.0704390        
  7     15.0365000              0.2205020        
  8      6.3733900             -0.3870080        
  9      3.9804400             -0.3797990        
 10      1.9137000              0.4295680        
 11      1.0468500              0.6843810        
 12      0.5411240              0.2882870        
 13      0.2196040              0.0221970        
 14      0.1112430             -0.0015960        
 15      0.0534930              0.0027420        
S   15
  1  23205.8000000             -0.0000010        
  2   3771.3900000             -0.0000080        
  3    844.9990000             -0.0000400        
  4    225.9440000             -0.0001360        
  5     38.8963000             -0.0024860        
  6     24.1744000              0.0201470        
  7     15.0365000             -0.0662560        
  8      6.3733900              0.1325870        
  9      3.9804400              0.1092390        
 10      1.9137000             -0.1627670        
 11      1.0468500             -0.2960000        
 12      0.5411240             -0.2160960        
 13      0.2196040              0.0963740        
 14      0.1112430              0.4558370        
 15      0.0534930              0.4989750        
S   15
  1  23205.8000000             -0.0000030        
  2   3771.3900000             -0.0000180        
  3    844.9990000             -0.0000910        
  4    225.9440000             -0.0002830        
  5     38.8963000             -0.0057460        
  6     24.1744000              0.0444640        
  7     15.0365000             -0.1445380        
  8      6.3733900              0.2911970        
  9      3.9804400              0.2762860        
 10      1.9137000             -0.4601500        
 11      1.0468500             -1.1330410        
 12      0.5411240              0.4924230        
 13      0.2196040              1.3766480        
 14      0.1112430              0.0484350        
 15      0.0534930             -0.6259790        
S   15
  1  23205.8000000             -0.0000030        
  2   3771.3900000             -0.0000290        
  3    844.9990000             -0.0001140        
  4    225.9440000             -0.0005170        
  5     38.8963000             -0.0045640        
  6     24.1744000              0.0489840        
  7     15.0365000             -0.1846820        
  8      6.3733900              0.3146920        
  9      3.9804400              0.8163900        
 10      1.9137000             -1.8779410        
 11      1.0468500             -1.1420460        
 12      0.5411240              3.0474940        
 13      0.2196040             -0.1049950        
 14      0.1112430             -2.0487230        
 15      0.0534930              0.3851940        
S   15
  1  23205.8000000              0.0000050        
  2   3771.3900000              0.0000500        
  3    844.9990000              0.0001360        
  4    225.9440000              0.0009530        
  5     38.8963000              0.0001240        
  6     24.1744000             -0.0460830        
  7     15.0365000              0.2371650        
  8      6.3733900             -0.3984760        
  9      3.9804400             -1.8326780        
 10      1.9137000              6.8724880        
 11      1.0468500             -6.1783150        
 12      0.5411240             -0.2248680        
 13      0.2196040              4.6156480        
 14      0.1112430             -3.4660850        
 15      0.0534930             -0.4541080        
S   15
  1  23205.8000000              0.0000210        
  2   3771.3900000             -0.0000440        
  3    844.9990000              0.0011420        
  4    225.9440000             -0.0025270        
  5     38.8963000              0.1585010        
  6     24.1744000             -0.7129760        
  7     15.0365000              1.4991850        
  8      6.3733900             -4.6944470        
  9      3.9804400              4.5188420        
 10      1.9137000              4.6444410        
 11      1.0468500            -12.5365850        
 12      0.5411240             11.3925910        
 13      0.2196040             -6.2020290        
 14      0.1112430              1.0900570        
 15      0.0534930              2.5822440        
S   1
  1      0.0257800              1.0000000        
S   1
  1      0.0124000              1.0000000        
P   12
  1    135.2730000              0.0001860        
  2     23.0761000             -0.0042710        
  3     14.4134000              0.0572330        
  4      9.0041900             -0.1141790        
  5      5.4158400             -0.1393110        
  6      2.3507900              0.2759960        
  7      1.3344000              0.4534040        
  8      0.7335470              0.3309520        
  9      0.3901660              0.1132910        
 10      0.1885570              0.0133410        
 11      0.0914820              0.0008830        
 12      0.0443940              0.0001700        
P   12
  1    135.2730000              0.0000520        
  2     23.0761000             -0.0011170        
  3     14.4134000              0.0158880        
  4      9.0041900             -0.0339130        
  5      5.4158400             -0.0359330        
  6      2.3507900              0.0898220        
  7      1.3344000              0.1469780        
  8      0.7335470              0.1251760        
  9      0.3901660             -0.0286040        
 10      0.1885570             -0.2727070        
 11      0.0914820             -0.4437890        
 12      0.0443940             -0.3369100        
P   12
  1    135.2730000             -0.0001040        
  2     23.0761000              0.0019740        
  3     14.4134000             -0.0321810        
  4      9.0041900              0.0679970        
  5      5.4158400              0.0879620        
  6      2.3507900             -0.2180220        
  7      1.3344000             -0.3798210        
  8      0.7335470             -0.1555920        
  9      0.3901660              0.3620100        
 10      0.1885570              0.5655060        
 11      0.0914820              0.2574090        
 12      0.0443940              0.0354870        
P   12
  1    135.2730000             -0.0001310        
  2     23.0761000              0.0009520        
  3     14.4134000             -0.0422710        
  4      9.0041900              0.0863860        
  5      5.4158400              0.2024090        
  6      2.3507900             -0.5619670        
  7      1.3344000             -0.7866710        
  8      0.7335470              0.6594830        
  9      0.3901660              1.0680100        
 10      0.1885570             -0.3256270        
 11      0.0914820             -0.6924840        
 12      0.0443940             -0.0896270        
P   12
  1    135.2730000             -0.0003150        
  2     23.0761000              0.0070780        
  3     14.4134000             -0.0921880        
  4      9.0041900              0.1858700        
  5      5.4158400              0.3626280        
  6      2.3507900             -1.9075530        
  7      1.3344000              0.2850310        
  8      0.7335470              2.6540280        
  9      0.3901660             -1.6918510        
 10      0.1885570             -0.9002340        
 11      0.0914820              0.9919570        
 12      0.0443940              0.1504650        
P   12
  1    135.2730000              0.0026410        
  2     23.0761000             -0.1240410        
  3     14.4134000              0.6943910        
  4      9.0041900             -1.6053290        
  5      5.4158400              0.9787740        
  6      2.3507900              3.7381710        
  7      1.3344000             -7.0266130        
  8      0.7335470              4.4199910        
  9      0.3901660              0.2264390        
 10      0.1885570             -2.0342680        
 11      0.0914820              0.8948020        
 12      0.0443940              0.2625200        
P   1
  1      0.0213240              1.0000000        
P   1
  1      0.0102000              1.0000000        
D   10
  1    167.0870000              0.0000670        
  2     50.0032000              0.0005480        
  3     16.8214000              0.0048040        
  4      8.3725000             -0.0260080        
  5      3.2530000              0.1117880        
  6      1.8099900              0.2537740        
  7      0.9770620              0.3178150        
  8      0.5108750              0.2844650        
  9      0.2575330              0.1902230        
 10      0.1240940              0.0840140        
D   10
  1    167.0870000             -0.0000710        
  2     50.0032000             -0.0006690        
  3     16.8214000             -0.0050930        
  4      8.3725000              0.0289100        
  5      3.2530000             -0.1420360        
  6      1.8099900             -0.3472040        
  7      0.9770620             -0.2840980        
  8      0.5108750              0.1173250        
  9      0.2575330              0.4242370        
 10      0.1240940              0.3951490        
D   10
  1    167.0870000             -0.0001380        
  2     50.0032000             -0.0007620        
  3     16.8214000             -0.0090550        
  4      8.3725000              0.0494340        
  5      3.2530000             -0.2791340        
  6      1.8099900             -0.6165230        
  7      0.9770620              0.1959360        
  8      0.5108750              0.7916730        
  9      0.2575330              0.1203390        
 10      0.1240940             -0.5738380        
D   10
  1    167.0870000             -0.0004510        
  2     50.0032000              0.0004420        
  3     16.8214000             -0.0252640        
  4      8.3725000              0.1211200        
  5      3.2530000             -0.8240850        
  6      1.8099900             -0.4459430        
  7      0.9770620              1.7601450        
  8      0.5108750             -0.4859570        
  9      0.2575330             -0.9235150        
 10      0.1240940              0.3647560        
D   10
  1    167.0870000              0.0004100        
  2     50.0032000              0.0008160        
  3     16.8214000              0.0269820        
  4      8.3725000             -0.1669320        
  5      3.2530000              1.9129540        
  6      1.8099900             -2.1612950        
  7      0.9770620             -0.3296250        
  8      0.5108750              2.2594400        
  9      0.2575330             -1.6367960        
 10      0.1240940             -0.1129480        
D   1
  1      0.0555480              1.0000000        
D   1
  1      0.0249000              1.0000000        
F   1
  1      6.0582000              1.0000000        
F   1
  1      2.2929000              1.0000000        
F   1
  1      0.8678000              1.0000000        
F   1
  1      0.3284000              1.0000000        
F   1
  1      0.1244000              1.0000000        
G   1
  1      3.0536000              1.0000000        
G   1
  1      1.2845000              1.0000000        
G   1
  1      0.5403000              1.0000000        
G   1
  1      0.2229000              1.0000000        
H   1
  1      2.5202000              1.0000000        
H   1
  1      0.9498000              1.0000000        
H   1
  1      0.4101000              1.0000000        
I   1
  1      2.0051000              1.0000000        
I   1
  1      1.0311000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Ag
data:
SILVER
S   15
  1  25508.1000000              0.0000040        
  2   3866.3000000              0.0000280        
  3    865.7950000              0.0001350        
  4    233.7790000              0.0004160        
  5     37.2712000              0.0127210        
  6     23.2321000             -0.1060860        
  7     14.4818000              0.3478570        
  8      7.3301500             -0.4498720        
  9      4.5473600             -0.4203070        
 10      2.0080500              0.4493320        
 11      1.1266200              0.6736920        
 12      0.5879060              0.2820160        
 13      0.2291650              0.0195830        
 14      0.1193530             -0.0022100        
 15      0.0574270              0.0027200        
S   15
  1  25508.1000000             -0.0000010        
  2   3866.3000000             -0.0000090        
  3    865.7950000             -0.0000390        
  4    233.7790000             -0.0001340        
  5     37.2712000             -0.0032320        
  6     23.2321000              0.0285990        
  7     14.4818000             -0.0993380        
  8      7.3301500              0.1440280        
  9      4.5473600              0.1160400        
 10      2.0080500             -0.1592840        
 11      1.1266200             -0.2796960        
 12      0.5879060             -0.2088490        
 13      0.2291650              0.0876200        
 14      0.1193530              0.4317620        
 15      0.0574270              0.5040820        
S   15
  1  25508.1000000             -0.0000020        
  2   3866.3000000             -0.0000170        
  3    865.7950000             -0.0000820        
  4    233.7790000             -0.0002540        
  5     37.2712000             -0.0069860        
  6     23.2321000              0.0587420        
  7     14.4818000             -0.2016470        
  8      7.3301500              0.2988210        
  9      4.5473600              0.2442880        
 10      2.0080500             -0.3773370        
 11      1.1266200             -0.9639450        
 12      0.5879060              0.3002400        
 13      0.2291650              1.2470290        
 14      0.1193530              0.2516930        
 15      0.0574270             -0.5123710        
S   15
  1  25508.1000000             -0.0000040        
  2   3866.3000000             -0.0000300        
  3    865.7950000             -0.0001270        
  4    233.7790000             -0.0004850        
  5     37.2712000             -0.0087960        
  6     23.2321000              0.0844370        
  7     14.4818000             -0.3097690        
  8      7.3301500              0.4106920        
  9      4.5473600              0.7069170        
 10      2.0080500             -1.6230910        
 11      1.1266200             -1.3670390        
 12      0.5879060              2.8875900        
 13      0.2291650              0.3739690        
 14      0.1193530             -2.0992070        
 15      0.0574270              0.0811730        
S   15
  1  25508.1000000              0.0000040        
  2   3866.3000000              0.0000500        
  3    865.7950000              0.0001230        
  4    233.7790000              0.0009330        
  5     37.2712000              0.0002690        
  6     23.2321000             -0.0650020        
  7     14.4818000              0.3349260        
  8      7.3301500             -0.3194330        
  9      4.5473600             -1.8296210        
 10      2.0080500              6.6173400        
 11      1.1266200             -5.7144920        
 12      0.5879060             -0.6955270        
 13      0.2291650              4.6598300        
 14      0.1193530             -3.0805350        
 15      0.0574270             -0.9140990        
S   15
  1  25508.1000000              0.0000170        
  2   3866.3000000             -0.0000190        
  3    865.7950000              0.0009450        
  4    233.7790000             -0.0016800        
  5     37.2712000              0.1524090        
  6     23.2321000             -0.7759530        
  7     14.4818000              1.9303510        
  8      7.3301500             -4.2339830        
  9      4.5473600              2.6067280        
 10      2.0080500              7.2255220        
 11      1.1266200            -14.6194840        
 12      0.5879060             11.5983870        
 13      0.2291650             -5.3179280        
 14      0.1193530              0.0988350        
 15      0.0574270              3.1887390        
S   1
  1      0.0274470              1.0000000        
S   1
  1      0.0131000              1.0000000        
P   12
  1    260.3710000              0.0000690        
  2     41.8770000              0.0022080        
  3     26.0818000             -0.0147130        
  4     16.2999000              0.0615000        
  5      7.3321200             -0.2486090        
  6      3.6115300             -0.0118610        
  7      2.2577400              0.4010540        
  8      1.1956300              0.4854900        
  9      0.6173070              0.2548630        
 10      0.2882140              0.0438670        
 11      0.1338710              0.0004240        
 12      0.0606670              0.0010760        
P   12
  1    260.3710000             -0.0000210        
  2     41.8770000             -0.0004160        
  3     26.0818000              0.0031050        
  4     16.2999000             -0.0149150        
  5      7.3321200              0.0668090        
  6      3.6115300             -0.0026860        
  7      2.2577400             -0.1167180        
  8      1.1956300             -0.1647480        
  9      0.6173070             -0.0798760        
 10      0.2882140              0.1495800        
 11      0.1338710              0.4198200        
 12      0.0606670              0.4512040        
P   12
  1    260.3710000             -0.0000430        
  2     41.8770000             -0.0008860        
  3     26.0818000              0.0065390        
  4     16.2999000             -0.0310780        
  5      7.3321200              0.1388240        
  6      3.6115300              0.0073970        
  7      2.2577400             -0.2866860        
  8      1.1956300             -0.3796850        
  9      0.6173070              0.0463330        
 10      0.2882140              0.5493950        
 11      0.1338710              0.4688010        
 12      0.0606670              0.1012000        
P   12
  1    260.3710000             -0.0000760        
  2     41.8770000             -0.0015200        
  3     26.0818000              0.0113040        
  4     16.2999000             -0.0549030        
  5      7.3321200              0.2531400        
  6      3.6115300              0.0793900        
  7      2.2577400             -0.8748950        
  8      1.1956300             -0.4976100        
  9      0.6173070              1.2448050        
 10      0.2882140              0.5008560        
 11      0.1338710             -0.8438290        
 12      0.0606670             -0.2683590        
P   12
  1    260.3710000              0.0001220        
  2     41.8770000              0.0020380        
  3     26.0818000             -0.0168560        
  4     16.2999000              0.0870650        
  5      7.3321200             -0.4436140        
  6      3.6115300             -0.0954220        
  7      2.2577400              2.4160670        
  8      1.1956300             -1.9911940        
  9      0.6173070             -1.0682060        
 10      0.2882140              2.2401820        
 11      0.1338710             -0.6925270        
 12      0.0606670             -0.5043030        
P   12
  1    260.3710000             -0.0002500        
  2     41.8770000              0.0290440        
  3     26.0818000             -0.1328380        
  4     16.2999000              0.3460190        
  5      7.3321200             -1.5383300        
  6      3.6115300              3.6966010        
  7      2.2577400             -0.9815190        
  8      1.1956300             -4.0384050        
  9      0.6173070              4.6615100        
 10      0.2882140             -2.0830800        
 11      0.1338710             -0.3652860        
 12      0.0606670              0.8759320        
P   1
  1      0.0269870              1.0000000        
P   1
  1      0.0120000              1.0000000        
D   10
  1    210.1510000              0.0000520        
  2     63.2213000              0.0004340        
  3     22.1947000              0.0029780        
  4      9.1637800             -0.0210360        
  5      3.6926500              0.0894730        
  6      2.1724700              0.2311140        
  7      1.2150400              0.3114170        
  8      0.6545310              0.2939390        
  9      0.3396100              0.2033710        
 10      0.1684380              0.0909880        
D   10
  1    210.1510000             -0.0000660        
  2     63.2213000             -0.0005960        
  3     22.1947000             -0.0037550        
  4      9.1637800              0.0277510        
  5      3.6926500             -0.1382930        
  6      2.1724700             -0.3844080        
  7      1.2150400             -0.3282910        
  8      0.6545310              0.1446150        
  9      0.3396100              0.4584850        
 10      0.1684380              0.3562670        
D   10
  1    210.1510000             -0.0001370        
  2     63.2213000             -0.0004700        
  3     22.1947000             -0.0067560        
  4      9.1637800              0.0471090        
  5      3.6926500             -0.2590530        
  6      2.1724700             -0.6886270        
  7      1.2150400              0.2530610        
  8      0.6545310              0.8530670        
  9      0.3396100              0.0652370        
 10      0.1684380             -0.6296830        
D   10
  1    210.1510000             -0.0004150        
  2     63.2213000              0.0006290        
  3     22.1947000             -0.0178470        
  4      9.1637800              0.1162800        
  5      3.6926500             -0.8457040        
  6      2.1724700             -0.5895720        
  7      1.2150400              2.0652320        
  8      0.6545310             -0.6109170        
  9      0.3396100             -1.0511820        
 10      0.1684380              0.5253630        
D   10
  1    210.1510000              0.0003520        
  2     63.2213000              0.0007750        
  3     22.1947000              0.0185820        
  4      9.1637800             -0.1729500        
  5      3.6926500              2.3357180        
  6      2.1724700             -2.8172180        
  7      1.2150400             -0.1337660        
  8      0.6545310              2.5210640        
  9      0.3396100             -1.9791920        
 10      0.1684380              0.0719550        
D   1
  1      0.0778390              1.0000000        
D   1
  1      0.0360000              1.0000000        
F   1
  1      6.8653000              1.0000000        
F   1
  1      2.6130000              1.0000000        
F   1
  1      0.9945000              1.0000000        
F   1
  1      0.3785000              1.0000000        
F   1
  1      0.1448000              1.0000000        
G   1
  1      3.4082000              1.0000000        
G   1
  1      1.4573000              1.0000000        
G   1
  1      0.6232000              1.0000000        
G   1
  1      0.2596000              1.0000000        
H   1
  1      2.8332000              1.0000000        
H   1
  1      1.0814000              1.0000000        
H   1
  1      0.4758000              1.0000000        
I   1
  1      2.2640000              1.0000000        
I   1
  1      1.2082000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Cd
data:
CADMIUM
S   15
  1  27436.6000000              0.0000050        
  2   3908.4100000              0.0000360        
  3    873.4940000              0.0001700        
  4    240.9660000              0.0005020        
  5     40.1547000              0.0127020        
  6     24.9336000             -0.1035310        
  7     15.5229000              0.3364200        
  8      7.5728300             -0.4851990        
  9      4.7268900             -0.3783880        
 10      2.0631900              0.5224540        
 11      1.1298200              0.6637710        
 12      0.5872270              0.2282000        
 13      0.2363260              0.0114000        
 14      0.1190290             -0.0014050        
 15      0.0575930              0.0004300        
S   15
  1  27436.6000000             -0.0000010        
  2   3908.4100000             -0.0000110        
  3    873.4940000             -0.0000500        
  4    240.9660000             -0.0001630        
  5     40.1547000             -0.0032580        
  6     24.9336000              0.0280860        
  7     15.5229000             -0.0967480        
  8      7.5728300              0.1571350        
  9      4.7268900              0.1024990        
 10      2.0631900             -0.1865410        
 11      1.1298200             -0.2931460        
 12      0.5872270             -0.1881750        
 13      0.2363260              0.1461350        
 14      0.1190290              0.4696640        
 15      0.0575930              0.4688420        
S   15
  1  27436.6000000             -0.0000040        
  2   3908.4100000             -0.0000300        
  3    873.4940000             -0.0001410        
  4    240.9660000             -0.0004170        
  5     40.1547000             -0.0094010        
  6     24.9336000              0.0769120        
  7     15.5229000             -0.2625420        
  8      7.5728300              0.4359870        
  9      4.7268900              0.3210280        
 10      2.0631900             -0.8122860        
 11      1.1298200             -1.1743820        
 12      0.5872270              1.0056440        
 13      0.2363260              1.4442850        
 14      0.1190290             -0.4737790        
 15      0.0575930             -0.6115230        
S   15
  1  27436.6000000              0.0000050        
  2   3908.4100000              0.0000440        
  3    873.4940000              0.0001880        
  4    240.9660000              0.0006600        
  5     40.1547000              0.0102790        
  6     24.9336000             -0.0949060        
  7     15.5229000              0.3459450        
  8      7.5728300             -0.5089720        
  9      4.7268900             -0.9101160        
 10      2.0631900              3.1543360        
 11      1.1298200             -0.4410900        
 12      0.5872270             -3.3567240        
 13      0.2363260              2.1849250        
 14      0.1190290              0.8653930        
 15      0.0575930             -1.0763220        
S   15
  1  27436.6000000              0.0000110        
  2   3908.4100000              0.0000370        
  3    873.4940000              0.0005380        
  4    240.9660000             -0.0000070        
  5     40.1547000              0.0603180        
  6     24.9336000             -0.3399990        
  7     15.5229000              0.9281550        
  8      7.5728300             -1.8591730        
  9      4.7268900             -0.2801740        
 10      2.0631900              8.2506400        
 11      1.1298200            -12.0499770        
 12      0.5872270              6.2942470        
 13      0.2363260              1.0740050        
 14      0.1190290             -3.6683230        
 15      0.0575930              1.7381910        
S   15
  1  27436.6000000              0.0000370        
  2   3908.4100000             -0.0001320        
  3    873.4940000              0.0024830        
  4    240.9660000             -0.0065150        
  5     40.1547000              0.3870050        
  6     24.9336000             -1.8211490        
  7     15.5229000              4.1013790        
  8      7.5728300            -10.8420120        
  9      4.7268900             12.7409230        
 10      2.0631900             -5.1541990        
 11      1.1298200             -3.4644710        
 12      0.5872270              8.9259320        
 13      0.2363260            -10.6562160        
 14      0.1190290              9.0099110        
 15      0.0575930             -3.2748060        
S   1
  1      0.0277550              1.0000000        
S   1
  1      0.0134000              1.0000000        
P   12
  1    323.2680000              0.0000660        
  2     63.5891000              0.0006790        
  3     28.2035000             -0.0084230        
  4     17.5936000              0.0503170        
  5      8.2024800             -0.2028140        
  6      5.1107900             -0.0532690        
  7      2.5359300              0.3654550        
  8      1.3583900              0.4938280        
  9      0.7055230              0.2777250        
 10      0.3383690              0.0520750        
 11      0.1513800              0.0016680        
 12      0.0663680              0.0008590        
P   12
  1    323.2680000             -0.0000180        
  2     63.5891000             -0.0001490        
  3     28.2035000              0.0018740        
  4     17.5936000             -0.0123180        
  5      8.2024800              0.0544420        
  6      5.1107900              0.0093530        
  7      2.5359300             -0.1069270        
  8      1.3583900             -0.1532950        
  9      0.7055230             -0.0952330        
 10      0.3383690              0.1139870        
 11      0.1513800              0.4051120        
 12      0.0663680              0.4787540        
P   12
  1    323.2680000             -0.0000370        
  2     63.5891000             -0.0002500        
  3     28.2035000              0.0033640        
  4     17.5936000             -0.0232440        
  5      8.2024800              0.1021120        
  6      5.1107900              0.0308760        
  7      2.5359300             -0.2370240        
  8      1.3583900             -0.3339430        
  9      0.7055230             -0.0657160        
 10      0.3383690              0.4686380        
 11      0.1513800              0.5646730        
 12      0.0663680              0.1388640        
P   12
  1    323.2680000              0.0000750        
  2     63.5891000              0.0003980        
  3     28.2035000             -0.0057820        
  4     17.5936000              0.0433640        
  5      8.2024800             -0.1923230        
  6      5.1107900             -0.1152710        
  7      2.5359300              0.7466690        
  8      1.3583900              0.6295210        
  9      0.7055230             -1.0489700        
 10      0.3383690             -0.7581520        
 11      0.1513800              0.7903170        
 12      0.0663680              0.3390040        
P   12
  1    323.2680000              0.0001040        
  2     63.5891000              0.0007300        
  3     28.2035000             -0.0101520        
  4     17.5936000              0.0715170        
  5      8.2024800             -0.3380230        
  6      5.1107900             -0.2023430        
  7      2.5359300              2.2073870        
  8      1.3583900             -1.3076250        
  9      0.7055230             -1.7517320        
 10      0.3383690              2.2717260        
 11      0.1513800             -0.3680670        
 12      0.0663680             -0.6504470        
P   12
  1    323.2680000              0.0004590        
  2     63.5891000             -0.0137780        
  3     28.2035000              0.1210560        
  4     17.5936000             -0.3918450        
  5      8.2024800              1.7758150        
  6      5.1107900             -2.1445560        
  7      2.5359300             -1.8817220        
  8      1.3583900              5.5206530        
  9      0.7055230             -4.8059090        
 10      0.3383690              1.4522180        
 11      0.1513800              0.9494530        
 12      0.0663680             -1.0871290        
P   1
  1      0.0286620              1.0000000        
P   1
  1      0.0124000              1.0000000        
D   10
  1    218.4830000              0.0000650        
  2     66.0856000              0.0005290        
  3     23.4767000              0.0035540        
  4     10.7919000             -0.0179510        
  5      3.9868400              0.1024190        
  6      2.2758000              0.2560070        
  7      1.2538100              0.3240110        
  8      0.6747590              0.2838860        
  9      0.3548570              0.1777130        
 10      0.1809700              0.0690630        
D   10
  1    218.4830000             -0.0000970        
  2     66.0856000             -0.0007610        
  3     23.4767000             -0.0051260        
  4     10.7919000              0.0266220        
  5      3.9868400             -0.1831690        
  6      2.2758000             -0.4777630        
  7      1.2538100             -0.2557580        
  8      0.6747590              0.3026490        
  9      0.3548570              0.4657800        
 10      0.1809700              0.2503160        
D   10
  1    218.4830000              0.0002240        
  2     66.0856000              0.0001890        
  3     23.4767000              0.0103380        
  4     10.7919000             -0.0485980        
  5      3.9868400              0.3396490        
  6      2.2758000              0.6937940        
  7      1.2538100             -0.5948220        
  8      0.6747590             -0.7538480        
  9      0.3548570              0.1934390        
 10      0.1809700              0.6360650        
D   10
  1    218.4830000             -0.0005500        
  2     66.0856000              0.0011980        
  3     23.4767000             -0.0240170        
  4     10.7919000              0.1100430        
  5      3.9868400             -0.9701910        
  6      2.2758000             -0.2134990        
  7      1.2538100              2.0135070        
  8      0.6747590             -1.0556350        
  9      0.3548570             -0.8484480        
 10      0.1809700              0.6878900        
D   10
  1    218.4830000             -0.0002590        
  2     66.0856000             -0.0019310        
  3     23.4767000             -0.0166050        
  4     10.7919000              0.1247370        
  5      3.9868400             -2.2613790        
  6      2.2758000              3.1601810        
  7      1.2538100             -0.6317200        
  8      0.6747590             -2.1371480        
  9      0.3548570              2.2270340        
 10      0.1809700             -0.3921130        
D   1
  1      0.0870760              1.0000000        
D   1
  1      0.0419000              1.0000000        
F   1
  1      7.7498000              1.0000000        
F   1
  1      2.9569000              1.0000000        
F   1
  1      1.1282000              1.0000000        
F   1
  1      0.4305000              1.0000000        
F   1
  1      0.1669000              1.0000000        
G   1
  1      3.7971000              1.0000000        
G   1
  1      1.6322000              1.0000000        
G   1
  1      0.7016000              1.0000000        
G   1
  1      0.2957000              1.0000000        
H   1
  1      3.1822000              1.0000000        
H   1
  1      1.2197000              1.0000000        
H   1
  1      0.5447000              1.0000000        
I   1
  1      2.5498000              1.0000000        
I   1
  1      1.4003000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: In
data:
INDIUM
S   11
  1  23226.5000000              0.0000060        
  2   3635.5400000              0.0000400        
  3    862.5840000              0.0001740        
  4    246.6930000              0.0004750        
  5     46.3849000              0.0077520        
  6     27.0364000             -0.0817480        
  7     16.7272000              0.2960130        
  8      8.3890400             -0.3606080        
  9      5.2364700             -0.5234820        
 10      2.8696600              0.2712000        
 11      1.5386800              0.7659270        
S   11
  1  23226.5000000             -0.0000020        
  2   3635.5400000             -0.0000140        
  3    862.5840000             -0.0000590        
  4    246.6930000             -0.0001760        
  5     46.3849000             -0.0022770        
  6     27.0364000              0.0255530        
  7     16.7272000             -0.0981890        
  8      8.3890400              0.1379040        
  9      5.2364700              0.1693530        
 10      2.8696600             -0.1105590        
 11      1.5386800             -0.3444540        
S   1
  1      0.7910200              1.0000000        
S   1
  1      0.3111880              1.0000000        
S   1
  1      0.1791140              1.0000000        
S   1
  1      0.0848660              1.0000000        
S   1
  1      0.0391490              1.0000000        
S   1
  1      0.0149000              1.0000000        
P   8
  1    306.9880000              0.0000780        
  2     51.1659000              0.0020370        
  3     31.9605000             -0.0117730        
  4     19.9080000              0.0469550        
  5      8.2245100             -0.2358350        
  6      4.4523400             -0.0048270        
  7      2.5254500              0.4290200        
  8      1.3169800              0.5023400        
P   8
  1    306.9880000             -0.0000200        
  2     51.1659000             -0.0003580        
  3     31.9605000              0.0021900        
  4     19.9080000             -0.0098370        
  5      8.2245100              0.0550350        
  6      4.4523400             -0.0053810        
  7      2.5254500             -0.1056280        
  8      1.3169800             -0.1394910        
P   1
  1      0.6633140              1.0000000        
P   1
  1      0.2883470              1.0000000        
P   1
  1      0.1300600              1.0000000        
P   1
  1      0.0576000              1.0000000        
P   1
  1      0.0252850              1.0000000        
P   1
  1      0.0087000              1.0000000        
D   9
  1    608.1530000              0.0000090        
  2    185.8550000              0.0000780        
  3     74.0897000              0.0004030        
  4     30.3368000              0.0022870        
  5     12.5122000             -0.0144790        
  6      5.2219900              0.0375860        
  7      3.2414000              0.1876030        
  8      1.8445200              0.3128050        
  9      1.0139400              0.3213200        
D   1
  1      0.5454830              1.0000000        
D   1
  1      0.2866790              1.0000000        
D   1
  1      0.1447350              1.0000000        
D   1
  1      0.0627000              1.0000000        
D   1
  1      0.0227000              1.0000000        
F   1
  1      0.4871000              1.0000000        
F   1
  1      0.2400000              1.0000000        
F   1
  1      0.1182000              1.0000000        
F   1
  1      0.0465000              1.0000000        
G   1
  1      0.4878000              1.0000000        
G   1
  1      0.2294000              1.0000000        
G   1
  1      0.0969000              1.0000000        
H   1
  1      0.4218000              1.0000000        
H   1
  1      0.2057000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Sn
data:
TIN
S   11
  1  41524.9000000              0.0000060        
  2   6000.7500000              0.0000480        
  3   1326.3100000              0.0002400        
  4    363.7110000              0.0007770        
  5     97.9293000              0.0018850        
  6     30.0010000             -0.0402990        
  7     18.7349000              0.1883810        
  8      9.1043300             -0.2212780        
  9      5.5714300             -0.5997290        
 10      3.3742800              0.2466100        
 11      1.6921300              0.7830120        
S   11
  1  41524.9000000             -0.0000020        
  2   6000.7500000             -0.0000190        
  3   1326.3100000             -0.0000940        
  4    363.7110000             -0.0003130        
  5     97.9293000             -0.0007070        
  6     30.0010000              0.0144380        
  7     18.7349000             -0.0710470        
  8      9.1043300              0.1007630        
  9      5.5714300              0.2248780        
 10      3.3742800             -0.1227210        
 11      1.6921300             -0.3891720        
S   1
  1      0.8754970              1.0000000        
S   1
  1      0.3705530              1.0000000        
S   1
  1      0.2052470              1.0000000        
S   1
  1      0.0996540              1.0000000        
S   1
  1      0.0470050              1.0000000        
S   1
  1      0.0199000              1.0000000        
P   8
  1    484.0730000              0.0000660        
  2    107.9790000              0.0004420        
  3     36.0268000             -0.0032360        
  4     22.4952000              0.0263630        
  5      9.4056500             -0.1539330        
  6      5.8779100             -0.0758040        
  7      2.9250900              0.3723880        
  8      1.5499000              0.5203090        
P   8
  1    484.0730000             -0.0000190        
  2    107.9790000             -0.0001210        
  3     36.0268000              0.0008090        
  4     22.4952000             -0.0070820        
  5      9.4056500              0.0459760        
  6      5.8779100              0.0138370        
  7      2.9250900             -0.1161060        
  8      1.5499000             -0.1687050        
P   1
  1      0.7940910              1.0000000        
P   1
  1      0.3640900              1.0000000        
P   1
  1      0.1708260              1.0000000        
P   1
  1      0.0780380              1.0000000        
P   1
  1      0.0348330              1.0000000        
P   1
  1      0.0142000              1.0000000        
D   9
  1    664.3080000              0.0000100        
  2    207.9720000              0.0000880        
  3     81.1454000              0.0004880        
  4     33.1164000              0.0025780        
  5     13.7707000             -0.0126880        
  6      6.2054200              0.0342470        
  7      3.6403300              0.1897620        
  8      2.0641100              0.3204930        
  9      1.1405200              0.3274000        
D   1
  1      0.6180670              1.0000000        
D   1
  1      0.3262520              1.0000000        
D   1
  1      0.1656920              1.0000000        
D   1
  1      0.0754000              1.0000000        
D   1
  1      0.0308000              1.0000000        
F   1
  1      0.5251000              1.0000000        
F   1
  1      0.2663000              1.0000000        
F   1
  1      0.1351000              1.0000000        
F   1
  1      0.0599000              1.0000000        
G   1
  1      0.5325000              1.0000000        
G   1
  1      0.2542000              1.0000000        
G   1
  1      0.1179000              1.0000000        
H   1
  1      0.4681000              1.0000000        
H   1
  1      0.2501000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Sb
data:
ANTIMONY
S   11
  1  33072.9000000              0.0000110        
  2   5025.3400000              0.0000840        
  3   1152.3600000              0.0003940        
  4    324.1960000              0.0011820        
  5     85.8607000              0.0028700        
  6     27.6760000             -0.0696230        
  7     17.2890000              0.3522220        
  8     10.4866000             -0.3578770        
  9      5.9297700             -0.6419650        
 10      3.7029000              0.2554680        
 11      1.8529800              0.7898580        
S   11
  1  33072.9000000             -0.0000050        
  2   5025.3400000             -0.0000360        
  3   1152.3600000             -0.0001650        
  4    324.1960000             -0.0005160        
  5     85.8607000             -0.0011170        
  6     27.6760000              0.0259750        
  7     17.2890000             -0.1400980        
  8     10.4866000              0.1623690        
  9      5.9297700              0.2485120        
 10      3.7029000             -0.1210240        
 11      1.8529800             -0.4192720        
S   1
  1      0.9803990              1.0000000        
S   1
  1      0.4387490              1.0000000        
S   1
  1      0.2455130              1.0000000        
S   1
  1      0.1207110              1.0000000        
S   1
  1      0.0574520              1.0000000        
S   1
  1      0.0240000              1.0000000        
P   8
  1    457.9840000              0.0000810        
  2    101.9180000              0.0005270        
  3     30.5679000             -0.0068360        
  4     19.1002000              0.0604270        
  5      9.7255700             -0.2305800        
  6      6.0763700             -0.0447360        
  7      3.0330600              0.4044060        
  8      1.6258100              0.5166630        
P   8
  1    457.9840000             -0.0000260        
  2    101.9180000             -0.0001500        
  3     30.5679000              0.0017310        
  4     19.1002000             -0.0174470        
  5      9.7255700              0.0738980        
  6      6.0763700              0.0038840        
  7      3.0330600             -0.1356280        
  8      1.6258100             -0.1942500        
P   1
  1      0.8500760              1.0000000        
P   1
  1      0.4008310              1.0000000        
P   1
  1      0.1950610              1.0000000        
P   1
  1      0.0923680              1.0000000        
P   1
  1      0.0424560              1.0000000        
P   1
  1      0.0175000              1.0000000        
D   9
  1    681.4100000              0.0000120        
  2    208.4790000              0.0001150        
  3     81.4487000              0.0006280        
  4     33.6360000              0.0030890        
  5     12.9671000             -0.0155390        
  6      7.0605500              0.0295200        
  7      4.0031000              0.1904230        
  8      2.2791300              0.3254420        
  9      1.2738500              0.3308710        
D   1
  1      0.6997310              1.0000000        
D   1
  1      0.3737590              1.0000000        
D   1
  1      0.1903860              1.0000000        
D   1
  1      0.0892000              1.0000000        
D   1
  1      0.0368000              1.0000000        
F   1
  1      0.5731000              1.0000000        
F   1
  1      0.3011000              1.0000000        
F   1
  1      0.1582000              1.0000000        
F   1
  1      0.0667000              1.0000000        
G   1
  1      0.5896000              1.0000000        
G   1
  1      0.2885000              1.0000000        
G   1
  1      0.1284000              1.0000000        
H   1
  1      0.5236000              1.0000000        
H   1
  1      0.2615000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Te
data:
TELLURIUM
S   11
  1  40797.2000000              0.0000170        
  2   6127.0900000              0.0001270        
  3   1389.1500000              0.0006160        
  4    387.4630000              0.0019490        
  5    113.3550000              0.0036970        
  6     28.3246000             -0.0634120        
  7     17.7003000              0.3663950        
  8     11.0610000             -0.3902080        
  9      6.2078500             -0.6311370        
 10      3.8784800              0.2546080        
 11      1.9881800              0.7861460        
S   11
  1  40797.2000000             -0.0000080        
  2   6127.0900000             -0.0000600        
  3   1389.1500000             -0.0002860        
  4    387.4630000             -0.0009300        
  5    113.3550000             -0.0016670        
  6     28.3246000              0.0248270        
  7     17.7003000             -0.1551980        
  8     11.0610000              0.1884320        
  9      6.2078500              0.2568490        
 10      3.8784800             -0.1275780        
 11      1.9881800             -0.4490950        
S   1
  1      1.0735600              1.0000000        
S   1
  1      0.5093220              1.0000000        
S   1
  1      0.2801250              1.0000000        
S   1
  1      0.1391010              1.0000000        
S   1
  1      0.0661510              1.0000000        
S   1
  1      0.0271000              1.0000000        
P   8
  1    516.0760000              0.0000930        
  2    118.0290000              0.0005840        
  3     30.8754000             -0.0052630        
  4     19.2977000              0.0644520        
  5     10.4824000             -0.2263180        
  6      6.3011000             -0.0634930        
  7      3.3279000              0.3913600        
  8      1.7979300              0.5260480        
P   8
  1    516.0760000             -0.0000320        
  2    118.0290000             -0.0001870        
  3     30.8754000              0.0013200        
  4     19.2977000             -0.0201290        
  5     10.4824000              0.0787750        
  6      6.3011000              0.0096720        
  7      3.3279000             -0.1421820        
  8      1.7979300             -0.2187870        
P   1
  1      0.9501290              1.0000000        
P   1
  1      0.4555780              1.0000000        
P   1
  1      0.2208730              1.0000000        
P   1
  1      0.1036080              1.0000000        
P   1
  1      0.0471160              1.0000000        
P   1
  1      0.0199000              1.0000000        
D   9
  1    688.2210000              0.0000160        
  2    207.0780000              0.0001570        
  3     80.6678000              0.0008380        
  4     34.0224000              0.0037600        
  5     13.0033000             -0.0175410        
  6      8.1197900              0.0293380        
  7      4.4298400              0.1858750        
  8      2.5350700              0.3281340        
  9      1.4282700              0.3350310        
D   1
  1      0.7931480              1.0000000        
D   1
  1      0.4313130              1.0000000        
D   1
  1      0.2292640              1.0000000        
D   1
  1      0.1060000              1.0000000        
D   1
  1      0.0449000              1.0000000        
F   1
  1      0.6149000              1.0000000        
F   1
  1      0.3194000              1.0000000        
F   1
  1      0.1659000              1.0000000        
F   1
  1      0.0755000              1.0000000        
G   1
  1      0.6129000              1.0000000        
G   1
  1      0.2902000              1.0000000        
G   1
  1      0.1395000              1.0000000        
H   1
  1      0.5376000              1.0000000        
H   1
  1      0.3031000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: I
data:
IODINE
S   11
  1      4.297660E+04           1.300000E-05     
  2      6.439010E+03           9.700000E-05     
  3      1.455780E+03           4.660000E-04     
  4      4.053610E+02           1.441000E-03     
  5      1.169800E+02           2.674000E-03     
  6      2.963260E+01          -5.812100E-02     
  7      1.851000E+01           3.457590E-01     
  8      1.156200E+01          -3.622720E-01     
  9      6.595070E+00          -6.346740E-01     
 10      4.053400E+00           2.236670E-01     
 11      2.140900E+00           7.832730E-01     
S   11
  1      4.297660E+04          -6.000000E-06     
  2      6.439010E+03          -4.700000E-05     
  3      1.455780E+03          -2.230000E-04     
  4      4.053610E+02          -7.120000E-04     
  5      1.169800E+02          -1.234000E-03     
  6      2.963260E+01           2.412100E-02     
  7      1.851000E+01          -1.556420E-01     
  8      1.156200E+01           1.885390E-01     
  9      6.595070E+00           2.742270E-01     
 10      4.053400E+00          -1.247080E-01     
 11      2.140900E+00          -4.731900E-01     
S   1
  1      1.181640E+00           1.0000000        
S   1
  1      6.003720E-01           1.0000000        
S   1
  1      3.199650E-01           1.0000000        
S   1
  1      1.587690E-01           1.0000000        
S   1
  1      7.545100E-02           1.0000000        
S   1
  1      3.050000E-02           1.0000000        
P   8
  1      5.696430E+02           1.150000E-04     
  2      1.314960E+02           7.170000E-04     
  3      3.238430E+01          -2.027000E-03     
  4      2.022540E+01           5.343600E-02     
  5      1.123810E+01          -1.922640E-01     
  6      6.627940E+00          -9.521500E-02     
  7      3.647800E+00           3.658080E-01     
  8      1.988530E+00           5.364310E-01     
P   8
  1      5.696430E+02          -4.300000E-05     
  2      1.314960E+02          -2.600000E-04     
  3      3.238430E+01           3.440000E-04     
  4      2.022540E+01          -1.823100E-02     
  5      1.123810E+01           7.401400E-02     
  6      6.627940E+00           2.201600E-02     
  7      3.647800E+00          -1.478730E-01     
  8      1.988530E+00          -2.411660E-01     
P   1
  1      1.063670E+00           1.0000000        
P   1
  1      5.243030E-01           1.0000000        
P   1
  1      2.553820E-01           1.0000000        
P   1
  1      1.197550E-01           1.0000000        
P   1
  1      5.419900E-02           1.0000000        
P   1
  1      2.310000E-02           1.0000000        
D   9
  1      5.788080E+02           2.600000E-05     
  2      1.758530E+02           2.340000E-04     
  3      6.882920E+01           1.177000E-03     
  4      2.873540E+01           5.462000E-03     
  5      1.231660E+01          -2.753000E-02     
  6      7.611430E+00           2.097600E-02     
  7      4.704520E+00           1.768420E-01     
  8      2.794650E+00           3.194790E-01     
  9      1.616440E+00           3.387310E-01     
D   1
  1      9.142110E-01           1.0000000        
D   1
  1      5.047300E-01           1.0000000        
D   1
  1      2.762800E-01           1.0000000        
D   1
  1      1.392000E-01           1.0000000        
D   1
  1      6.300000E-02           1.0000000        
F   1
  1      6.739000E-01           1.0000000        
F   1
  1      3.631000E-01           1.0000000        
F   1
  1      1.956000E-01           1.0000000        
F   1
  1      1.027000E-01           1.0000000        
G   1
  1      6.721000E-01           1.0000000        
G   1
  1      3.226000E-01           1.0000000        
G   1
  1      1.633000E-01           1.0000000        
H   1
  1      5.908000E-01           1.0000000        
H   1
  1      3.591000E-01           1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Xe
data:
XENON
S   11
  1  48321.7000000              0.0000210        
  2   7247.5300000              0.0001610        
  3   1647.8200000              0.0007770        
  4    463.2800000              0.0024510        
  5    141.2520000              0.0043270        
  6     30.3364000             -0.0520960        
  7     18.9517000              0.3623700        
  8     11.8390000             -0.4511310        
  9      6.6022600             -0.6055000        
 10      4.0861100              0.3224700        
 11      2.1698900              0.7959590        
S   11
  1  48321.7000000             -0.0000110        
  2   7247.5300000             -0.0000850        
  3   1647.8200000             -0.0004060        
  4    463.2800000             -0.0013050        
  5    141.2520000             -0.0022300        
  6     30.3364000              0.0213490        
  7     18.9517000             -0.1666670        
  8     11.8390000              0.2374810        
  9      6.6022600              0.2620450        
 10      4.0861100             -0.1705710        
 11      2.1698900             -0.5273020        
S   1
  1      1.2081000              1.0000000        
S   1
  1      0.6265520              1.0000000        
S   1
  1      0.3299570              1.0000000        
S   1
  1      0.1665010              1.0000000        
S   1
  1      0.0805130              1.0000000        
S   1
  1      0.0339000              1.0000000        
P   8
  1    606.0380000              0.0001400        
  2    139.7950000              0.0008690        
  3     19.3991000              0.0728320        
  4     12.1272000             -0.2132170        
  5      7.5780500             -0.0864450        
  6      3.8698300              0.3516930        
  7      2.2092800              0.5055770        
  8      1.2518800              0.2783450        
P   8
  1    606.0380000             -0.0000510        
  2    139.7950000             -0.0003600        
  3     19.3991000             -0.0276370        
  4     12.1272000              0.0886670        
  5      7.5780500              0.0162210        
  6      3.8698300             -0.1478720        
  7      2.2092800             -0.2389600        
  8      1.2518800             -0.1387590        
P   1
  1      0.6815140              1.0000000        
P   1
  1      0.3730100              1.0000000        
P   1
  1      0.1983760              1.0000000        
P   1
  1      0.1028230              1.0000000        
P   1
  1      0.0509490              1.0000000        
P   1
  1      0.0259000              1.0000000        
D   9
  1    659.6130000              0.0000290        
  2    200.7280000              0.0002670        
  3     78.7426000              0.0013840        
  4     33.3455000              0.0058650        
  5     12.6987000             -0.0229860        
  6      7.8355000              0.0533760        
  7      4.6694900              0.2158860        
  8      2.7869500              0.3250900        
  9      1.6516400              0.3081500        
D   1
  1      0.9637090              1.0000000        
D   1
  1      0.5521860              1.0000000        
D   1
  1      0.3125300              1.0000000        
D   1
  1      0.1446000              1.0000000        
D   1
  1      0.0611000              1.0000000        
F   1
  1      0.7418000              1.0000000        
F   1
  1      0.4239000              1.0000000        
F   1
  1      0.2423000              1.0000000        
F   1
  1      0.1305000              1.0000000        
G   1
  1      0.7418000              1.0000000        
G   1
  1      0.3597000              1.0000000        
G   1
  1      0.1861000              1.0000000        
H   1
  1      0.6575000              1.0000000        
H   1
  1      0.4159000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Hf
data:
HAFNIUM
S   15
  1    127.7480000             -0.0002650        
  2     79.4716000              0.0018600        
  3     45.4455000             -0.0136810        
  4     28.3815000              0.0789220        
  5     17.7268000             -0.3294260        
  6     11.0709000              0.7341460        
  7      6.8945900             -0.4835410        
  8      3.5486400             -0.5526670        
  9      1.9669700             -0.0048260        
 10      1.1896700              0.4295130        
 11      0.7225180              0.5705330        
 12      0.4164450              0.3115260        
 13      0.2308050              0.0487760        
 14      0.1037990              0.0014650        
 15      0.0497170             -0.0014370        
S   15
  1    127.7480000              0.0000500        
  2     79.4716000             -0.0004020        
  3     45.4455000              0.0034560        
  4     28.3815000             -0.0219560        
  5     17.7268000              0.0967560        
  6     11.0709000             -0.2227620        
  7      6.8945900              0.1511500        
  8      3.5486400              0.1802400        
  9      1.9669700              0.0081550        
 10      1.1896700             -0.1681520        
 11      0.7225180             -0.2613930        
 12      0.4164450             -0.2841200        
 13      0.2308050             -0.0039800        
 14      0.1037990              0.4690960        
 15      0.0497170              0.5811820        
S   15
  1    127.7480000             -0.0002150        
  2     79.4716000              0.0013270        
  3     45.4455000             -0.0082810        
  4     28.3815000              0.0437050        
  5     17.7268000             -0.1784800        
  6     11.0709000              0.4054010        
  7      6.8945900             -0.2886660        
  8      3.5486400             -0.2809590        
  9      1.9669700             -0.1238970        
 10      1.1896700              0.5064930        
 11      0.7225180              0.4808970        
 12      0.4164450              0.9248080        
 13      0.2308050             -1.6613720        
 14      0.1037990             -1.1516350        
 15      0.0497170              1.2281220        
S   15
  1    127.7480000             -0.0002050        
  2     79.4716000              0.0006500        
  3     45.4455000              0.0023510        
  4     28.3815000             -0.0394250        
  5     17.7268000              0.2197680        
  6     11.0709000             -0.5440250        
  7      6.8945900              0.3558480        
  8      3.5486400              0.6157690        
  9      1.9669700             -0.0435280        
 10      1.1896700             -0.6285800        
 11      0.7225180             -2.6644980        
 12      0.4164450              2.6677750        
 13      0.2308050              2.2901390        
 14      0.1037990             -3.5999040        
 15      0.0497170              0.6097060        
S   15
  1    127.7480000             -0.0004360        
  2     79.4716000              0.0017770        
  3     45.4455000             -0.0015150        
  4     28.3815000             -0.0327300        
  5     17.7268000              0.2228950        
  6     11.0709000             -0.5723910        
  7      6.8945900              0.3439330        
  8      3.5486400              0.7814050        
  9      1.9669700              0.4626060        
 10      1.1896700             -2.7820660        
 11      0.7225180             -3.1216790        
 12      0.4164450             11.6688260        
 13      0.2308050             -9.7036820        
 14      0.1037990              1.9065390        
 15      0.0497170              2.4988180        
S   15
  1    127.7480000             -0.0065390        
  2     79.4716000              0.0330230        
  3     45.4455000             -0.1319560        
  4     28.3815000              0.3965380        
  5     17.7268000             -1.0136420        
  6     11.0709000              1.9458380        
  7      6.8945900             -1.7872130        
  8      3.5486400              0.2408740        
  9      1.9669700             -4.1101300        
 10      1.1896700             17.4671040        
 11      0.7225180            -23.3039300        
 12      0.4164450             11.9257810        
 13      0.2308050              1.7063660        
 14      0.1037990             -7.7578540        
 15      0.0497170              7.2322400        
S   1
  1      0.0237700              1.0000000        
S   1
  1      0.0114000              1.0000000        
P   12
  1     41.4467000             -0.0006080        
  2     25.8855000              0.0072100        
  3     16.1691000             -0.0505390        
  4     10.1016000              0.1824760        
  5      6.3107100             -0.2021880        
  6      3.8365300             -0.1667920        
  7      1.3993200              0.3020540        
  8      0.7676080              0.4675860        
  9      0.4115580              0.3223530        
 10      0.2111180              0.0902090        
 11      0.0981670              0.0082420        
 12      0.0453820              0.0010090        
P   12
  1     41.4467000              0.0001310        
  2     25.8855000             -0.0017860        
  3     16.1691000              0.0134610        
  4     10.1016000             -0.0503600        
  5      6.3107100              0.0574720        
  6      3.8365300              0.0470140        
  7      1.3993200             -0.0929890        
  8      0.7676080             -0.1678660        
  9      0.4115580             -0.1546010        
 10      0.2111180              0.0749170        
 11      0.0981670              0.4278670        
 12      0.0453820              0.4997790        
P   12
  1     41.4467000              0.0001550        
  2     25.8855000             -0.0024110        
  3     16.1691000              0.0190800        
  4     10.1016000             -0.0723590        
  5      6.3107100              0.0825170        
  6      3.8365300              0.0694090        
  7      1.3993200             -0.1384910        
  8      0.7676080             -0.2388510        
  9      0.4115580             -0.2696350        
 10      0.2111180              0.2559880        
 11      0.0981670              0.7089890        
 12      0.0453820              0.2477470        
P   12
  1     41.4467000              0.0003500        
  2     25.8855000             -0.0047590        
  3     16.1691000              0.0361480        
  4     10.1016000             -0.1366730        
  5      6.3107100              0.1591460        
  6      3.8365300              0.1281270        
  7      1.3993200             -0.2677180        
  8      0.7676080             -0.7965620        
  9      0.4115580              0.1238840        
 10      0.2111180              1.6212470        
 11      0.0981670             -0.5567550        
 12      0.0453820             -0.6691030        
P   12
  1     41.4467000              0.0007800        
  2     25.8855000             -0.0084450        
  3     16.1691000              0.0588600        
  4     10.1016000             -0.2212050        
  5      6.3107100              0.2683550        
  6      3.8365300              0.2077140        
  7      1.3993200             -0.7711390        
  8      0.7676080             -1.4253890        
  9      0.4115580              3.4737140        
 10      0.2111180             -1.5709620        
 11      0.0981670             -1.1457100        
 12      0.0453820              1.2510060        
P   12
  1     41.4467000              0.0161090        
  2     25.8855000             -0.0774960        
  3     16.1691000              0.1644930        
  4     10.1016000             -0.1561020        
  5      6.3107100              0.2459260        
  6      3.8365300             -0.9029180        
  7      1.3993200              3.4050860        
  8      0.7676080             -3.5255490        
  9      0.4115580             -0.6189970        
 10      0.2111180              3.9159700        
 11      0.0981670             -3.9242830        
 12      0.0453820              1.8289550        
P   1
  1      0.0206860              1.0000000        
P   1
  1      0.0094000              1.0000000        
D   10
  1     35.5394000              0.0000430        
  2     15.2305000             -0.0006500        
  3      7.7746700              0.0123910        
  4      4.3736500             -0.0563170        
  5      1.4161700              0.0928900        
  6      0.8379100              0.1799400        
  7      0.4656750              0.2783780        
  8      0.2397700              0.3177230        
  9      0.1177200              0.2618220        
 10      0.0557830              0.1262830        
D   10
  1     35.5394000             -0.0000150        
  2     15.2305000              0.0005190        
  3      7.7746700             -0.0136520        
  4      4.3736500              0.0657540        
  5      1.4161700             -0.1206020        
  6      0.8379100             -0.2424530        
  7      0.4656750             -0.3683650        
  8      0.2397700             -0.1005520        
  9      0.1177200              0.4226440        
 10      0.0557830              0.4761400        
D   10
  1     35.5394000             -0.0000920        
  2     15.2305000             -0.0000270        
  3      7.7746700              0.0172170        
  4      4.3736500             -0.0933910        
  5      1.4161700              0.2127460        
  6      0.8379100              0.4655750        
  7      0.4656750              0.2673850        
  8      0.2397700             -0.8332010        
  9      0.1177200             -0.4285520        
 10      0.0557830              0.6530410        
D   10
  1     35.5394000              0.0004280        
  2     15.2305000             -0.0016930        
  3      7.7746700             -0.0180860        
  4      4.3736500              0.1212750        
  5      1.4161700             -0.3064630        
  6      0.8379100             -1.0395480        
  7      0.4656750              1.1482350        
  8      0.2397700              0.8681360        
  9      0.1177200             -1.6557700        
 10      0.0557830              0.4445940        
D   10
  1     35.5394000              0.0002690        
  2     15.2305000             -0.0026550        
  3      7.7746700              0.0489690        
  4      4.3736500             -0.2528270        
  5      1.4161700              1.3918810        
  6      0.8379100             -0.1414450        
  7      0.4656750             -2.6895820        
  8      0.2397700              3.1243230        
  9      0.1177200             -1.3526590        
 10      0.0557830             -0.4206500        
D   1
  1      0.0251140              1.0000000        
D   1
  1      0.0113000              1.0000000        
F   1
  1      1.0807000              1.0000000        
F   1
  1      0.4600000              1.0000000        
F   1
  1      0.1958000              1.0000000        
F   1
  1      0.0834000              1.0000000        
F   1
  1      0.0297000              1.0000000        
G   1
  1      1.0998000              1.0000000        
G   1
  1      0.4175000              1.0000000        
G   1
  1      0.1585000              1.0000000        
G   1
  1      0.0540000              1.0000000        
H   1
  1      0.7694000              1.0000000        
H   1
  1      0.2781000              1.0000000        
H   1
  1      0.0920000              1.0000000        
I   1
  1      0.5042000              1.0000000        
I   1
  1      0.1624000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Ta
data:
TANTALUM
S   15
  1    127.8860000             -0.0002790        
  2     79.6219000              0.0020770        
  3     47.3560000             -0.0127990        
  4     28.9849000              0.0750180        
  5     18.1009000             -0.3238420        
  6     11.3049000              0.7427980        
  7      7.0610300             -0.4963610        
  8      3.7219500             -0.5605560        
  9      1.9676200             -0.0147580        
 10      1.2207300              0.5206740        
 11      0.7094640              0.5800160        
 12      0.4076670              0.2439380        
 13      0.2308530              0.0336160        
 14      0.1124470              0.0003250        
 15      0.0540990             -0.0021700        
S   15
  1    127.8860000              0.0000430        
  2     79.6219000             -0.0004060        
  3     47.3560000              0.0030990        
  4     28.9849000             -0.0209290        
  5     18.1009000              0.0970320        
  6     11.3049000             -0.2315270        
  7      7.0610300              0.1598630        
  8      3.7219500              0.1896500        
  9      1.9676200              0.0113860        
 10      1.2207300             -0.2125120        
 11      0.7094640             -0.3065440        
 12      0.4076670             -0.2409180        
 13      0.2308530              0.0388600        
 14      0.1124470              0.4628580        
 15      0.0540990              0.5752370        
S   15
  1    127.8860000              0.0001110        
  2     79.6219000             -0.0008820        
  3     47.3560000              0.0059160        
  4     28.9849000             -0.0375850        
  5     18.1009000              0.1716390        
  6     11.3049000             -0.4111500        
  7      7.0610300              0.2909600        
  8      3.7219500              0.3268680        
  9      1.9676200              0.0945570        
 10      1.2207300             -0.5424690        
 11      0.7094640             -0.7913220        
 12      0.4076670             -0.4190270        
 13      0.2308530              1.6532500        
 14      0.1124470              0.8989830        
 15      0.0540990             -1.1280310        
S   14
  1     79.6219000             -0.0004300        
  2     47.3560000              0.0057360        
  3     28.9849000             -0.0481540        
  4     18.1009000              0.2439050        
  5     11.3049000             -0.6085090        
  6      7.0610300              0.4282320        
  7      3.7219500              0.5955070        
  8      1.9676200              0.1293500        
  9      1.2207300             -1.4441160        
 10      0.7094640             -1.9042060        
 11      0.4076670              3.2780850        
 12      0.2308530              1.4056750        
 13      0.1124470             -3.3379110        
 14      0.0540990              0.4211850        
S   15
  1    127.8860000              0.0002870        
  2     79.6219000             -0.0019250        
  3     47.3560000              0.0108510        
  4     28.9849000             -0.0629920        
  5     18.1009000              0.2830470        
  6     11.3049000             -0.6835000        
  7      7.0610300              0.4757520        
  8      3.7219500              0.6263640        
  9      1.9676200              1.1666760        
 10      1.2207300             -5.1480010        
 11      0.7094640              1.1355430        
 12      0.4076670              8.3573620        
 13      0.2308530             -9.1380100        
 14      0.1124470              2.0396930        
 15      0.0540990              2.6709700        
S   15
  1    127.8860000             -0.0027560        
  2     79.6219000              0.0149860        
  3     47.3560000             -0.0565160        
  4     28.9849000              0.1974660        
  5     18.1009000             -0.6383540        
  6     11.3049000              1.3988440        
  7      7.0610300             -1.1057190        
  8      3.7219500             -1.1405960        
  9      1.9676200             -1.0047480        
 10      1.2207300             13.1447220        
 11      0.7094640            -22.4925640        
 12      0.4076670             15.8588450        
 13      0.2308530             -1.4127320        
 14      0.1124470             -6.8494450        
 15      0.0540990              6.6999900        
S   1
  1      0.0255890              1.0000000        
S   1
  1      0.0121000              1.0000000        
P   12
  1     43.0864000             -0.0004490        
  2     26.2162000              0.0063050        
  3     16.3747000             -0.0481970        
  4     10.2287000              0.1858860        
  5      6.3885600             -0.2230500        
  6      3.8820000             -0.1621140        
  7      1.5402200              0.2784190        
  8      0.8635440              0.4672790        
  9      0.4684760              0.3385310        
 10      0.2433510              0.1034880        
 11      0.1126670              0.0106060        
 12      0.0514670              0.0008630        
P   12
  1     43.0864000              0.0000830        
  2     26.2162000             -0.0015370        
  3     16.3747000              0.0131640        
  4     10.2287000             -0.0532870        
  5      6.3885600              0.0661500        
  6      3.8820000              0.0478650        
  7      1.5402200             -0.0900430        
  8      0.8635440             -0.1758890        
  9      0.4684760             -0.1625120        
 10      0.2433510              0.0661390        
 11      0.1126670              0.4193780        
 12      0.0514670              0.5076320        
P   12
  1     43.0864000              0.0000770        
  2     26.2162000             -0.0020600        
  3     16.3747000              0.0191860        
  4     10.2287000             -0.0793420        
  5      6.3885600              0.0985250        
  6      3.8820000              0.0742280        
  7      1.5402200             -0.1412360        
  8      0.8635440             -0.2634310        
  9      0.4684760             -0.2924470        
 10      0.2433510              0.2763780        
 11      0.1126670              0.7169410        
 12      0.0514670              0.2347510        
P   12
  1     43.0864000              0.0000670        
  2     26.2162000             -0.0032700        
  3     16.3747000              0.0334630        
  4     10.2287000             -0.1429680        
  5      6.3885600              0.1813390        
  6      3.8820000              0.1407050        
  7      1.5402200             -0.2905920        
  8      0.8635440             -0.8314340        
  9      0.4684760              0.1378480        
 10      0.2433510              1.6015330        
 11      0.1126670             -0.5297110        
 12      0.0514670             -0.6839160        
P   12
  1     43.0864000              0.0003680        
  2     26.2162000             -0.0066880        
  3     16.3747000              0.0591060        
  4     10.2287000             -0.2496690        
  5      6.3885600              0.3312620        
  6      3.8820000              0.2476020        
  7      1.5402200             -0.9737180        
  8      0.8635440             -1.4213200        
  9      0.4684760              3.7940630        
 10      0.2433510             -1.9375430        
 11      0.1126670             -0.8955520        
 12      0.0514670              1.1723800        
P   12
  1     43.0864000             -0.0160570        
  2     26.2162000              0.0835870        
  3     16.3747000             -0.1864780        
  4     10.2287000              0.1749990        
  5      6.3885600             -0.2492200        
  6      3.8820000              1.0920380        
  7      1.5402200             -4.3225400        
  8      0.8635440              5.0941140        
  9      0.4684760             -0.7633390        
 10      0.2433510             -3.1723950        
 11      0.1126670              3.7036060        
 12      0.0514670             -1.9021510        
P   1
  1      0.0230550              1.0000000        
P   1
  1      0.0103000              1.0000000        
D   10
  1     35.5553000              0.0000650        
  2     15.2541000             -0.0010070        
  3      8.0507000              0.0153940        
  4      4.4858200             -0.0687140        
  5      1.4699000              0.1230910        
  6      0.8349400              0.2263780        
  7      0.4639940              0.2926730        
  8      0.2489180              0.2921500        
  9      0.1289160              0.2162180        
 10      0.0644250              0.0968860        
D   10
  1     35.5553000             -0.0000160        
  2     15.2541000              0.0007520        
  3      8.0507000             -0.0166650        
  4      4.4858200              0.0802890        
  5      1.4699000             -0.1644500        
  6      0.8349400             -0.3216390        
  7      0.4639940             -0.3388870        
  8      0.2489180              0.0565710        
  9      0.1289160              0.4638630        
 10      0.0644250              0.4026440        
D   10
  1     35.5553000              0.0001760        
  2     15.2541000             -0.0002270        
  3      8.0507000             -0.0202980        
  4      4.4858200              0.1162780        
  5      1.4699000             -0.3271600        
  6      0.8349400             -0.5766580        
  7      0.4639940              0.0876950        
  8      0.2489180              0.9151310        
  9      0.1289160              0.1294610        
 10      0.0644250             -0.6372310        
D   10
  1     35.5553000              0.0002380        
  2     15.2541000             -0.0002990        
  3      8.0507000             -0.0280330        
  4      4.4858200              0.1647140        
  5      1.4699000             -0.6247180        
  6      0.8349400             -0.7857680        
  7      0.4639940              1.7880720        
  8      0.2489180             -0.0459510        
  9      0.1289160             -1.4392400        
 10      0.0644250              0.5965670        
D   10
  1     35.5553000             -0.0007060        
  2     15.2541000              0.0029160        
  3      8.0507000              0.0395360        
  4      4.4858200             -0.2900840        
  5      1.4699000              2.0927720        
  6      0.8349400             -1.9799750        
  7      0.4639940             -1.1050630        
  8      0.2489180              3.0756320        
  9      0.1289160             -2.0821770        
 10      0.0644250              0.0657740        
D   1
  1      0.0302690              1.0000000        
D   1
  1      0.0142000              1.0000000        
F   1
  1      1.2045000              1.0000000        
F   1
  1      0.5361000              1.0000000        
F   1
  1      0.2386000              1.0000000        
F   1
  1      0.1062000              1.0000000        
F   1
  1      0.0386000              1.0000000        
G   1
  1      1.3234000              1.0000000        
G   1
  1      0.5163000              1.0000000        
G   1
  1      0.2015000              1.0000000        
G   1
  1      0.0725000              1.0000000        
H   1
  1      0.9779000              1.0000000        
H   1
  1      0.3503000              1.0000000        
H   1
  1      0.1249000              1.0000000        
I   1
  1      0.6496000              1.0000000        
I   1
  1      0.2331000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: W
data:
TUNGSTEN
S   15
  1    128.0210000             -0.0002130        
  2     79.7690000              0.0018130        
  3     48.5622000             -0.0116240        
  4     30.1989000              0.0676740        
  5     18.8517000             -0.2999560        
  6     11.7614000              0.7046350        
  7      7.3298200             -0.4663690        
  8      3.8767000             -0.5914920        
  9      1.9492700              0.0262780        
 10      1.2144400              0.5868220        
 11      0.7063900              0.5430650        
 12      0.4094330              0.2037330        
 13      0.2304240              0.0245590        
 14      0.1120740             -0.0009150        
 15      0.0545930             -0.0027140        
S   15
  1    128.0210000              0.0000210        
  2     79.7690000             -0.0003040        
  3     48.5622000              0.0027070        
  4     30.1989000             -0.0189610        
  5     18.8517000              0.0915990        
  6     11.7614000             -0.2249730        
  7      7.3298200              0.1546610        
  8      3.8767000              0.2055560        
  9      1.9492700             -0.0039980        
 10      1.2144400             -0.2574660        
 11      0.7063900             -0.3084040        
 12      0.4094330             -0.2150450        
 13      0.2304240              0.0978160        
 14      0.1120740              0.4934530        
 15      0.0545930              0.5309830        
S   15
  1    128.0210000              0.0000550        
  2     79.7690000             -0.0006130        
  3     48.5622000              0.0049100        
  4     30.1989000             -0.0332520        
  5     18.8517000              0.1602240        
  6     11.7614000             -0.3963830        
  7      7.3298200              0.2773410        
  8      3.8767000              0.3628200        
  9      1.9492700              0.0727200        
 10      1.2144400             -0.6834100        
 11      0.7063900             -0.8141440        
 12      0.4094330             -0.1123420        
 13      0.2304240              1.7087150        
 14      0.1120740              0.5925350        
 15      0.0545930             -1.0797410        
S   15
  1    128.0210000             -0.0000800        
  2     79.7690000             -0.0000040        
  3     48.5622000              0.0042400        
  4     30.1989000             -0.0425880        
  5     18.8517000              0.2317290        
  6     11.7614000             -0.6006620        
  7      7.3298200              0.4229970        
  8      3.8767000              0.6727400        
  9      1.9492700              0.0054660        
 10      1.2144400             -1.8784650        
 11      0.7063900             -1.2199100        
 12      0.4094330              3.6264850        
 13      0.2304240              0.4866040        
 14      0.1120740             -3.0611230        
 15      0.0545930              0.5984560        
S   15
  1    128.0210000             -0.0002200        
  2     79.7690000              0.0007930        
  3     48.5622000              0.0015110        
  4     30.1989000             -0.0366030        
  5     18.8517000              0.2256000        
  6     11.7614000             -0.5949330        
  7      7.3298200              0.3658040        
  8      3.8767000              0.8681320        
  9      1.9492700              0.7539980        
 10      1.2144400             -5.9039300        
 11      0.7063900              3.9582880        
 12      0.4094330              5.5054530        
 13      0.2304240             -8.3495450        
 14      0.1120740              2.6769820        
 15      0.0545930              2.1562470        
S   15
  1    128.0210000              0.0007620        
  2     79.7690000             -0.0035880        
  3     48.5622000              0.0057020        
  4     30.1989000              0.0367400        
  5     18.8517000             -0.3171300        
  6     11.7614000              0.9032690        
  7      7.3298200             -0.5068010        
  8      3.8767000             -2.1985630        
  9      1.9492700              2.3663650        
 10      1.2144400              8.8286120        
 11      0.7063900            -21.9615460        
 12      0.4094330             19.5076120        
 13      0.2304240             -5.6066650        
 14      0.1120740             -4.4225920        
 15      0.0545930              5.8539150        
S   1
  1      0.0262100              1.0000000        
S   1
  1      0.0126000              1.0000000        
P   12
  1     44.8241000             -0.0005630        
  2     27.9957000              0.0069070        
  3     17.4892000             -0.0501680        
  4     10.9261000              0.1877100        
  5      6.8251900             -0.2162930        
  6      4.1815300             -0.1695920        
  7      1.5635300              0.3171370        
  8      0.8689660              0.4788210        
  9      0.4668820              0.3119830        
 10      0.2376200              0.0805190        
 11      0.1124500              0.0067540        
 12      0.0520670              0.0009720        
P   12
  1     44.8241000              0.0001090        
  2     27.9957000             -0.0016630        
  3     17.4892000              0.0133690        
  4     10.9261000             -0.0523560        
  5      6.8251900              0.0624070        
  6      4.1815300              0.0487380        
  7      1.5635300             -0.1011590        
  8      0.8689660             -0.1802800        
  9      0.4668820             -0.1366360        
 10      0.2376200              0.0929390        
 11      0.1124500              0.4060920        
 12      0.0520670              0.4865210        
P   12
  1     44.8241000              0.0001430        
  2     27.9957000             -0.0025570        
  3     17.4892000              0.0216370        
  4     10.9261000             -0.0859840        
  5      6.8251900              0.1027430        
  6      4.1815300              0.0819860        
  7      1.5635300             -0.1723800        
  8      0.8689660             -0.3159660        
  9      0.4668820             -0.2428930        
 10      0.2376200              0.4141700        
 11      0.1124500              0.6618400        
 12      0.0520670              0.1647600        
P   12
  1     44.8241000              0.0002040        
  2     27.9957000             -0.0041800        
  3     17.4892000              0.0372120        
  4     10.9261000             -0.1517130        
  5      6.8251900              0.1848990        
  6      4.1815300              0.1538090        
  7      1.5635300             -0.3828860        
  8      0.8689660             -0.9138870        
  9      0.4668820              0.6158340        
 10      0.2376200              1.3591900        
 11      0.1124500             -0.7719430        
 12      0.0520670             -0.5298450        
P   12
  1     44.8241000             -0.0018840        
  2     27.9957000              0.0047740        
  3     17.4892000              0.0293600        
  4     10.9261000             -0.1962880        
  5      6.8251900              0.2458850        
  6      4.1815300              0.3544620        
  7      1.5635300             -1.4928090        
  8      0.8689660             -0.4962540        
  9      0.4668820              3.4838900        
 10      0.2376200             -2.5860700        
 11      0.1124500             -0.1732890        
 12      0.0520670              0.9394390        
P   12
  1     44.8241000             -0.0085310        
  2     27.9957000              0.0375330        
  3     17.4892000             -0.0444050        
  4     10.9261000             -0.1250940        
  5      6.8251900              0.1837830        
  6      4.1815300              0.7029870        
  7      1.5635300             -4.5650170        
  8      0.8689660              6.7760870        
  9      0.4668820             -3.4821490        
 10      0.2376200             -1.0709860        
 11      0.1124500              2.8960140        
 12      0.0520670             -1.7956980        
P   1
  1      0.0236130              1.0000000        
P   1
  1      0.0107000              1.0000000        
D   10
  1     35.6782000              0.0000810        
  2     15.4233000             -0.0023430        
  3      9.2438500              0.0200330        
  4      5.0371500             -0.0776750        
  5      1.5468100              0.1491040        
  6      0.8422000              0.2700130        
  7      0.4583880              0.3094120        
  8      0.2475420              0.2705130        
  9      0.1305440              0.1768770        
 10      0.0662290              0.0662320        
D   10
  1     35.6782000             -0.0000100        
  2     15.4233000              0.0020700        
  3      9.2438500             -0.0223950        
  4      5.0371500              0.0942650        
  5      1.5468100             -0.2158830        
  6      0.8422000             -0.4052730        
  7      0.4583880             -0.2654230        
  8      0.2475420              0.2303150        
  9      0.1305440              0.4908810        
 10      0.0662290              0.2989000        
D   10
  1     35.6782000             -0.0000750        
  2     15.4233000             -0.0022060        
  3      9.2438500              0.0308890        
  4      5.0371500             -0.1414110        
  5      1.5468100              0.4576300        
  6      0.8422000              0.6275750        
  7      0.4583880             -0.5604170        
  8      0.2475420             -0.8192870        
  9      0.1305440              0.2636160        
 10      0.0662290              0.5844690        
D   10
  1     35.6782000             -0.0000950        
  2     15.4233000             -0.0028040        
  3      9.2438500              0.0418880        
  4      5.0371500             -0.2028010        
  5      1.5468100              0.9977590        
  6      0.8422000              0.1418660        
  7      0.4583880             -2.0303660        
  8      0.2475420              1.2349000        
  9      0.1305440              0.7676510        
 10      0.0662290             -0.7799460        
D   10
  1     35.6782000              0.0039060        
  2     15.4233000             -0.0236200        
  3      9.2438500              0.0010010        
  4      5.0371500              0.2566630        
  5      1.5468100             -2.4481050        
  6      0.8422000              3.6625230        
  7      0.4583880             -1.4539920        
  8      0.2475420             -1.5880280        
  9      0.1305440              2.2358110        
 10      0.0662290             -0.7062180        
D   1
  1      0.0313960              1.0000000        
D   1
  1      0.0149000              1.0000000        
F   1
  1      1.3495000              1.0000000        
F   1
  1      0.6187000              1.0000000        
F   1
  1      0.2836000              1.0000000        
F   1
  1      0.1300000              1.0000000        
F   1
  1      0.0482000              1.0000000        
G   1
  1      1.5406000              1.0000000        
G   1
  1      0.6162000              1.0000000        
G   1
  1      0.2465000              1.0000000        
G   1
  1      0.0923000              1.0000000        
H   1
  1      1.1714000              1.0000000        
H   1
  1      0.4222000              1.0000000        
H   1
  1      0.1583000              1.0000000        
I   1
  1      0.8048000              1.0000000        
I   1
  1      0.3141000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Re
data:
RHENIUM
S   15
  1    202.7120000             -0.0000180        
  2     83.1287000              0.0008080        
  3     51.6714000             -0.0070970        
  4     32.2470000              0.0479820        
  5     20.1306000             -0.2305260        
  6     12.5747000              0.5362550        
  7      7.3845200             -0.3065170        
  8      4.1728600             -0.6272000        
  9      2.6071100             -0.0086210        
 10      1.2876400              0.6405810        
 11      0.7176620              0.5579870        
 12      0.4005670              0.1652750        
 13      0.2323290              0.0172950        
 14      0.1127560              0.0025800        
 15      0.0551780              0.0002910        
S   14
  1     83.1287000             -0.0001630        
  2     51.6714000              0.0018440        
  3     32.2470000             -0.0144650        
  4     20.1306000              0.0746010        
  5     12.5747000             -0.1808000        
  6      7.3845200              0.1099330        
  7      4.1728600              0.2250530        
  8      2.6071100              0.0049640        
  9      1.2876400             -0.2913340        
 10      0.7176620             -0.3384660        
 11      0.4005670             -0.1805940        
 12      0.2323290              0.1402910        
 13      0.1127560              0.5017990        
 14      0.0551780              0.5030990        
S   15
  1    202.7120000              0.0000180        
  2     83.1287000             -0.0005500        
  3     51.6714000              0.0042800        
  4     32.2470000             -0.0276130        
  5     20.1306000              0.1340070        
  6     12.5747000             -0.3229860        
  7      7.3845200              0.2097760        
  8      4.1728600              0.3620910        
  9      2.6071100              0.0961150        
 10      1.2876400             -0.7498160        
 11      0.7176620             -0.8648990        
 12      0.4005670              0.1811020        
 13      0.2323290              1.6121400        
 14      0.1127560              0.4387040        
 15      0.0551780             -1.0489500        
S   15
  1    202.7120000             -0.0000310        
  2     83.1287000              0.0008940        
  3     51.6714000             -0.0067490        
  4     32.2470000              0.0434530        
  5     20.1306000             -0.2145210        
  6     12.5747000              0.5288540        
  7      7.3845200             -0.3532480        
  8      4.1728600             -0.6775470        
  9      2.6071100             -0.1518750        
 10      1.2876400              2.4519750        
 11      0.7176620              0.4384750        
 12      0.4005670             -4.0072560        
 13      0.2323290              0.6936150        
 14      0.1127560              2.7050750        
 15      0.0551780             -0.8795670        
S   15
  1    202.7120000              0.0002350        
  2     83.1287000             -0.0032670        
  3     51.6714000              0.0109550        
  4     32.2470000             -0.0003660        
  5     20.1306000             -0.1431730        
  6     12.5747000              0.4397380        
  7      7.3845200             -0.1194760        
  8      4.1728600             -1.3118760        
  9      2.6071100             -0.1557260        
 10      1.2876400              6.5286810        
 11      0.7176620             -7.6129680        
 12      0.4005670             -1.2325140        
 13      0.2323290              7.2714920        
 14      0.1127560             -4.1794340        
 15      0.0551780             -0.5759050        
S   15
  1    202.7120000              0.0034650        
  2     83.1287000             -0.0537890        
  3     51.6714000              0.2267930        
  4     32.2470000             -0.5545730        
  5     20.1306000              0.8903070        
  6     12.5747000             -1.0481350        
  7      7.3845200              2.4122880        
  8      4.1728600             -7.5736620        
  9      2.6071100              8.1469280        
 10      1.2876400              2.9438290        
 11      0.7176620            -17.3320220        
 12      0.4005670             23.0838870        
 13      0.2323290            -13.5879670        
 14      0.1127560              1.0859110        
 15      0.0551780              3.3164740        
S   1
  1      0.0266950              1.0000000        
S   1
  1      0.0129000              1.0000000        
P   12
  1     47.9533000             -0.0002760        
  2     29.9457000              0.0040490        
  3     18.7024000             -0.0333890        
  4     11.6818000              0.1349390        
  5      7.2963600             -0.1401110        
  6      4.5317300             -0.2024650        
  7      1.6000200              0.3485480        
  8      0.8859210              0.4802570        
  9      0.4730370              0.2920020        
 10      0.2358480              0.0674260        
 11      0.1111810              0.0045690        
 12      0.0515630              0.0010030        
P   12
  1     47.9533000              0.0000660        
  2     29.9457000             -0.0011030        
  3     18.7024000              0.0097100        
  4     11.6818000             -0.0407390        
  5      7.2963600              0.0446200        
  6      4.5317300              0.0607640        
  7      1.6000200             -0.1211460        
  8      0.8859210             -0.1957700        
  9      0.4730370             -0.1230670        
 10      0.2358480              0.1476650        
 11      0.1111810              0.4461360        
 12      0.0515630              0.4517640        
P   12
  1     47.9533000              0.0000970        
  2     29.9457000             -0.0017690        
  3     18.7024000              0.0159300        
  4     11.6818000             -0.0672890        
  5      7.2963600              0.0740170        
  6      4.5317300              0.1009150        
  7      1.6000200             -0.2052230        
  8      0.8859210             -0.3536700        
  9      0.4730370             -0.1740060        
 10      0.2358480              0.5158270        
 11      0.1111810              0.5958240        
 12      0.0515630              0.1163270        
P   12
  1     47.9533000             -0.0000210        
  2     29.9457000              0.0022630        
  3     18.7024000             -0.0256330        
  4     11.6818000              0.1152090        
  5      7.2963600             -0.1268210        
  6      4.5317300             -0.1981360        
  7      1.6000200              0.5068520        
  8      0.8859210              0.9103290        
  9      0.4730370             -1.0009770        
 10      0.2358480             -1.0597320        
 11      0.1111810              0.9144500        
 12      0.0515630              0.3787070        
P   12
  1     47.9533000              0.0044250        
  2     29.9457000             -0.0194640        
  3     18.7024000              0.0222630        
  4     11.6818000              0.0693960        
  5      7.2963600             -0.0499830        
  6      4.5317300             -0.5122240        
  7      1.6000200              2.0349300        
  8      0.8859210             -0.5892110        
  9      0.4730370             -2.7862130        
 10      0.2358480              2.8600090        
 11      0.1111810             -0.4498560        
 12      0.0515630             -0.6745750        
P   12
  1     47.9533000              0.0095020        
  2     29.9457000             -0.0541850        
  3     18.7024000              0.1976230        
  4     11.6818000             -0.5605200        
  5      7.2963600              0.7615590        
  6      4.5317300              0.2039630        
  7      1.6000200             -4.6023340        
  8      0.8859210              8.0439570        
  9      0.4730370             -5.8869540        
 10      0.2358480              1.2584620        
 11      0.1111810              1.5587300        
 12      0.0515630             -1.4244990        
P   1
  1      0.0235420              1.0000000        
P   1
  1      0.0107000              1.0000000        
D   10
  1     35.7309000              0.0000990        
  2     16.0515000             -0.0015020        
  3      9.9659100              0.0122100        
  4      5.0281700             -0.0671390        
  5      1.7427600              0.1216760        
  6      1.0452000              0.2158010        
  7      0.6077840              0.2894700        
  8      0.3294000              0.2946000        
  9      0.1679870              0.2175370        
 10      0.0816530              0.1022850        
D   10
  1     35.7309000             -0.0000910        
  2     16.0515000              0.0014570        
  3      9.9659100             -0.0130710        
  4      5.0281700              0.0758260        
  5      1.7427600             -0.1508580        
  6      1.0452000             -0.3139560        
  7      0.6077840             -0.3290430        
  8      0.3294000              0.0602180        
  9      0.1679870              0.4784460        
 10      0.0816530              0.4104690        
D   10
  1     35.7309000              0.0001730        
  2     16.0515000             -0.0003060        
  3      9.9659100             -0.0147100        
  4      5.0281700              0.1185220        
  5      1.7427600             -0.3719350        
  6      1.0452000             -0.5457170        
  7      0.6077840              0.0674260        
  8      0.3294000              0.8900820        
  9      0.1679870              0.1737840        
 10      0.0816530             -0.6452820        
D   10
  1     35.7309000              0.0006500        
  2     16.0515000             -0.0067020        
  3      9.9659100              0.0371030        
  4      5.0281700             -0.1942700        
  5      1.7427600              0.7473670        
  6      1.0452000              0.8063190        
  7      0.6077840             -1.9285380        
  8      0.3294000              0.1008470        
  9      0.1679870              1.3672990        
 10      0.0816530             -0.5654600        
D   10
  1     35.7309000             -0.0019430        
  2     16.0515000              0.0120540        
  3      9.9659100              0.0105860        
  4      5.0281700             -0.2881360        
  5      1.7427600              2.5644120        
  6      1.0452000             -2.7590000        
  7      0.6077840             -0.6513700        
  8      0.3294000              2.7968950        
  9      0.1679870             -1.8294110        
 10      0.0816530             -0.0374110        
D   1
  1      0.0372670              1.0000000        
D   1
  1      0.0170000              1.0000000        
F   1
  1      1.4757000              1.0000000        
F   1
  1      0.6895000              1.0000000        
F   1
  1      0.3222000              1.0000000        
F   1
  1      0.1505000              1.0000000        
F   1
  1      0.0560000              1.0000000        
G   1
  1      1.7301000              1.0000000        
G   1
  1      0.7095000              1.0000000        
G   1
  1      0.2909000              1.0000000        
G   1
  1      0.1118000              1.0000000        
H   1
  1      1.3434000              1.0000000        
H   1
  1      0.5023000              1.0000000        
H   1
  1      0.1983000              1.0000000        
I   1
  1      1.0694000              1.0000000        
I   1
  1      0.4822000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Os
data:
OSMIUM
S   15
  1    227.2160000             -0.0000080        
  2     88.9180000              0.0006500        
  3     55.3980000             -0.0057630        
  4     34.5047000              0.0395840        
  5     21.5498000             -0.1899940        
  6     13.3429000              0.4393550        
  7      7.2939800             -0.2162190        
  8      4.4707900             -0.6369810        
  9      2.5034400             -0.0856790        
 10      1.5041300              0.5520460        
 11      0.8808490              0.5880240        
 12      0.5112780              0.2614560        
 13      0.2785370              0.0386370        
 14      0.1317160              0.0025830        
 15      0.0626290              0.0009850        
S   15
  1    227.2160000             -0.0000010        
  2     88.9180000             -0.0001530        
  3     55.3980000              0.0016120        
  4     34.5047000             -0.0123980        
  5     21.5498000              0.0631760        
  6     13.3429000             -0.1520640        
  7      7.2939800              0.0829460        
  8      4.4707900              0.2314950        
  9      2.5034400              0.0334930        
 10      1.5041300             -0.2523020        
 11      0.8808490             -0.3237270        
 12      0.5112780             -0.2363270        
 13      0.2785370              0.0729300        
 14      0.1317160              0.4772580        
 15      0.0626290              0.5415620        
S   15
  1    227.2160000              0.0000110        
  2     88.9180000             -0.0004860        
  3     55.3980000              0.0038370        
  4     34.5047000             -0.0252950        
  5     21.5498000              0.1232880        
  6     13.3429000             -0.2967180        
  7      7.2939800              0.1764350        
  8      4.4707900              0.4257760        
  9      2.5034400              0.1812150        
 10      1.5041300             -0.7732490        
 11      0.8808490             -0.9496670        
 12      0.5112780             -0.0491560        
 13      0.2785370              1.7480150        
 14      0.1317160              0.4745020        
 15      0.0626290             -1.0206450        
S   15
  1    227.2160000              0.0000570        
  2     88.9180000             -0.0005270        
  3     55.3980000             -0.0002760        
  4     34.5047000              0.0237580        
  5     21.5498000             -0.1612420        
  6     13.3429000              0.4238590        
  7      7.2939800             -0.2128580        
  8      4.4707900             -0.8411380        
  9      2.5034400             -0.3547180        
 10      1.5041300              2.5012250        
 11      0.8808490              1.5206040        
 12      0.5112780             -4.7077430        
 13      0.2785370              0.5173180        
 14      0.1317160              2.8011500        
 15      0.0626290             -1.0530940        
S   15
  1    227.2160000              0.0003020        
  2     88.9180000             -0.0046580        
  3     55.3980000              0.0171120        
  4     34.5047000             -0.0161720        
  5     21.5498000             -0.1164320        
  6     13.3429000              0.4081330        
  7      7.2939800              0.1057120        
  8      4.4707900             -2.0385030        
  9      2.5034400             -0.1832490        
 10      1.5041300              8.8048900        
 11      0.8808490            -10.0151690        
 12      0.5112780             -0.2302100        
 13      0.2785370              7.0274320        
 14      0.1317160             -4.7555670        
 15      0.0626290              0.3846600        
S   15
  1    227.2160000              0.0022710        
  2     88.9180000             -0.0383040        
  3     55.3980000              0.1614460        
  4     34.5047000             -0.3854960        
  5     21.5498000              0.5500720        
  6     13.3429000             -0.5047640        
  7      7.2939800              2.4002110        
  8      4.4707900             -8.2280540        
  9      2.5034400             11.7973900        
 10      1.5041300             -0.0520600        
 11      0.8808490            -19.9171480        
 12      0.5112780             25.5954690        
 13      0.2785370            -15.0580250        
 14      0.1317160              3.5673590        
 15      0.0626290              1.5404740        
S   1
  1      0.0295780              1.0000000        
S   1
  1      0.0140000              1.0000000        
P   12
  1     50.5874000             -0.0001780        
  2     31.5906000              0.0031850        
  3     19.7305000             -0.0284180        
  4     12.3248000              0.1191540        
  5      7.6982400             -0.1170170        
  6      4.7632200             -0.2175890        
  7      1.6802200              0.3609010        
  8      0.9331860              0.4826620        
  9      0.4989040              0.2839670        
 10      0.2484490              0.0632460        
 11      0.1156230              0.0042670        
 12      0.0529260              0.0008460        
P   12
  1     50.5874000              0.0000520        
  2     31.5906000             -0.0009170        
  3     19.7305000              0.0083100        
  4     12.3248000             -0.0357720        
  5      7.6982400              0.0376310        
  6      4.7632200              0.0635160        
  7      1.6802200             -0.1247100        
  8      0.9331860             -0.1901510        
  9      0.4989040             -0.1125450        
 10      0.2484490              0.1468150        
 11      0.1156230              0.4354470        
 12      0.0529260              0.4550710        
P   12
  1     50.5874000              0.0000480        
  2     31.5906000             -0.0014300        
  3     19.7305000              0.0145560        
  4     12.3248000             -0.0644830        
  5      7.6982400              0.0678250        
  6      4.7632200              0.1188800        
  7      1.6802200             -0.2396480        
  8      0.9331860             -0.3999740        
  9      0.4989040             -0.1150490        
 10      0.2484490              0.5925270        
 11      0.1156230              0.5415260        
 12      0.0529260              0.0798220        
P   12
  1     50.5874000              0.0004710        
  2     31.5906000             -0.0005060        
  3     19.7305000             -0.0165620        
  4     12.3248000              0.0954490        
  5      7.6982400             -0.0949800        
  6      4.7632200             -0.2453950        
  7      1.6802200              0.6373810        
  8      0.9331860              0.8797360        
  9      0.4989040             -1.2780900        
 10      0.2484490             -0.7832380        
 11      0.1156230              0.9608010        
 12      0.0529260              0.2828430        
P   12
  1     50.5874000              0.0058520        
  2     31.5906000             -0.0273330        
  3     19.7305000              0.0473740        
  4     12.3248000              0.0133890        
  5      7.6982400              0.0414600        
  6      4.7632200             -0.6358230        
  7      1.6802200              2.5600610        
  8      0.9331860             -1.6019820        
  9      0.4989040             -2.0350280        
 10      0.2484490              2.8242020        
 11      0.1156230             -0.7670580        
 12      0.0529260             -0.5063300        
P   12
  1     50.5874000              0.0287000        
  2     31.5906000             -0.1526390        
  3     19.7305000              0.4666400        
  4     12.3248000             -1.0736960        
  5      7.6982400              1.4665880        
  6      4.7632200             -0.3475880        
  7      1.6802200             -4.4515830        
  8      0.9331860              8.6243800        
  9      0.4989040             -7.2754890        
 10      0.2484490              2.7515100        
 11      0.1156230              0.5647000        
 12      0.0529260             -1.0633800        
P   1
  1      0.0238640              1.0000000        
P   1
  1      0.0108000              1.0000000        
D   10
  1     34.7251000              0.0001770        
  2     18.4921000             -0.0014600        
  3     11.5470000              0.0090810        
  4      5.3023800             -0.0626140        
  5      1.8076600              0.1422720        
  6      1.0508200              0.2494720        
  7      0.5992150              0.2973920        
  8      0.3269350              0.2744110        
  9      0.1699930              0.1905300        
 10      0.0845740              0.0850110        
D   10
  1     34.7251000             -0.0002550        
  2     18.4921000              0.0018950        
  3     11.5470000             -0.0109550        
  4      5.3023800              0.0761900        
  5      1.8076600             -0.1919640        
  6      1.0508200             -0.4022390        
  7      0.5992150             -0.2705850        
  8      0.3269350              0.2026700        
  9      0.1699930              0.4974950        
 10      0.0845740              0.3210020        
D   10
  1     34.7251000             -0.0003770        
  2     18.4921000              0.0026750        
  3     11.5470000             -0.0165250        
  4      5.3023800              0.1264650        
  5      1.8076600             -0.4975880        
  6      1.0508200             -0.6159520        
  7      0.5992150              0.5117290        
  8      0.3269350              0.8300070        
  9      0.1699930             -0.1728380        
 10      0.0845740             -0.5995710        
D   10
  1     34.7251000              0.0030890        
  2     18.4921000             -0.0175070        
  3     11.5470000              0.0492840        
  4      5.3023800             -0.2305210        
  5      1.8076600              1.2697920        
  6      1.0508200             -0.0744860        
  7      0.5992150             -2.0270440        
  8      0.3269350              1.1913850        
  9      0.1699930              0.7435960        
 10      0.0845740             -0.6930140        
D   10
  1     34.7251000              0.0092970        
  2     18.4921000             -0.0443470        
  3     11.5470000              0.0482340        
  4      5.3023800              0.2227540        
  5      1.8076600             -3.0458800        
  6      1.0508200              4.8903840        
  7      0.5992150             -2.3993660        
  8      0.3269350             -1.0524210        
  9      0.1699930              1.8297370        
 10      0.0845740             -0.4714890        
D   1
  1      0.0394930              1.0000000        
D   1
  1      0.0184000              1.0000000        
F   1
  1      1.6402000              1.0000000        
F   1
  1      0.7838000              1.0000000        
F   1
  1      0.3746000              1.0000000        
F   1
  1      0.1790000              1.0000000        
F   1
  1      0.0679000              1.0000000        
G   1
  1      1.9370000              1.0000000        
G   1
  1      0.8085000              1.0000000        
G   1
  1      0.3375000              1.0000000        
G   1
  1      0.1326000              1.0000000        
H   1
  1      1.5067000              1.0000000        
H   1
  1      0.5777000              1.0000000        
H   1
  1      0.2360000              1.0000000        
I   1
  1      1.2206000              1.0000000        
I   1
  1      0.5783000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Ir
data:
IRIDIUM
S   15
  1    361.1680000              0.0000040        
  2     95.8674000              0.0004220        
  3     59.8527000             -0.0040300        
  4     36.8252000              0.0307260        
  5     23.0133000             -0.1493440        
  6     13.6810000              0.3885650        
  7      7.2456100             -0.2202300        
  8      4.5281600             -0.6578940        
  9      2.4987800             -0.0279080        
 10      1.5530900              0.5449680        
 11      0.9423020              0.5678570        
 12      0.5460880              0.2781940        
 13      0.2707930              0.0345870        
 14      0.1347530              0.0006840        
 15      0.0645530              0.0017070        
S   15
  1    361.1680000             -0.0000030        
  2     95.8674000             -0.0001010        
  3     59.8527000              0.0011370        
  4     36.8252000             -0.0097400        
  5     23.0133000              0.0502470        
  6     13.6810000             -0.1366010        
  7      7.2456100              0.0874040        
  8      4.5281600              0.2420290        
  9      2.4987800              0.0058910        
 10      1.5530900             -0.2514300        
 11      0.9423020             -0.3171260        
 12      0.5460880             -0.2305500        
 13      0.2707930              0.0921320        
 14      0.1347530              0.4742620        
 15      0.0645530              0.5251200        
S   15
  1    361.1680000             -0.0000120        
  2     95.8674000              0.0000220        
  3     59.8527000              0.0011840        
  4     36.8252000             -0.0162530        
  5     23.0133000              0.0943350        
  6     13.6810000             -0.2669410        
  7      7.2456100              0.1671060        
  8      4.5281600              0.5184990        
  9      2.4987800              0.0818770        
 10      1.5530900             -0.7655880        
 11      0.9423020             -1.1753020        
 12      0.5460880              0.4390200        
 13      0.2707930              1.6679210        
 14      0.1347530              0.1623000        
 15      0.0645530             -0.9114440        
S   15
  1    361.1680000             -0.0000430        
  2     95.8674000              0.0009120        
  3     59.8527000             -0.0024220        
  4     36.8252000             -0.0123750        
  5     23.0133000              0.1191320        
  6     13.6810000             -0.3734900        
  7      7.2456100              0.1842790        
  8      4.5281600              0.9847650        
  9      2.4987800              0.3903310        
 10      1.5530900             -3.3148990        
 11      0.9423020             -0.6367640        
 12      0.5460880              4.7062010        
 13      0.2707930             -1.2718210        
 14      0.1347530             -2.2196150        
 15      0.0645530              1.0516060        
S   15
  1    361.1680000              0.0001580        
  2     95.8674000             -0.0045610        
  3     59.8527000              0.0190690        
  4     36.8252000             -0.0278300        
  5     23.0133000             -0.0770850        
  6     13.6810000              0.3776980        
  7      7.2456100              0.2467920        
  8      4.5281600             -2.9518890        
  9      2.4987800              1.7915660        
 10      1.5530900              8.4440360        
 11      0.9423020            -12.7502280        
 12      0.5460880              3.6778990        
 13      0.2707930              4.6672140        
 14      0.1347530             -4.5177760        
 15      0.0645530              0.5860350        
S   15
  1    361.1680000              0.0008230        
  2     95.8674000             -0.0264250        
  3     59.8527000              0.1204600        
  4     36.8252000             -0.3013830        
  5     23.0133000              0.4065180        
  6     13.6810000             -0.3126660        
  7      7.2456100              2.5994090        
  8      4.5281600            -10.1706390        
  9      2.4987800             19.6716040        
 10      1.5530900            -12.5903850        
 11      0.9423020             -9.0398800        
 12      0.5460880             18.1973900        
 13      0.2707930            -13.0305380        
 14      0.1347530              5.0367020        
 15      0.0645530              0.6544030        
S   1
  1      0.0305960              1.0000000        
S   1
  1      0.0145000              1.0000000        
P   12
  1     53.1489000             -0.0001030        
  2     33.1807000              0.0025820        
  3     20.7203000             -0.0250280        
  4     12.9411000              0.1092320        
  5      8.0825100             -0.1054160        
  6      4.9702700             -0.2259200        
  7      1.7771000              0.3652150        
  8      0.9950100              0.4810560        
  9      0.5365460              0.2820320        
 10      0.2710670              0.0645840        
 11      0.1272520              0.0048890        
 12      0.0586070              0.0007820        
P   12
  1     53.1489000              0.0000390        
  2     33.1807000             -0.0008160        
  3     20.7203000              0.0077660        
  4     12.9411000             -0.0345780        
  5      8.0825100              0.0360390        
  6      4.9702700              0.0691030        
  7      1.7771000             -0.1335600        
  8      0.9950100             -0.1988110        
  9      0.5365460             -0.1141680        
 10      0.2710670              0.1535450        
 11      0.1272520              0.4405510        
 12      0.0586070              0.4502280        
P   12
  1     53.1489000             -0.0000300        
  2     33.1807000             -0.0010390        
  3     20.7203000              0.0137040        
  4     12.9411000             -0.0653110        
  5      8.0825100              0.0677430        
  6      4.9702700              0.1416070        
  7      1.7771000             -0.2919340        
  8      0.9950100             -0.4527000        
  9      0.5365460             -0.0364810        
 10      0.2710670              0.6228330        
 11      0.1272520              0.4918100        
 12      0.0586070              0.0711760        
P   12
  1     53.1489000             -0.0011260        
  2     33.1807000              0.0040110        
  3     20.7203000              0.0061050        
  4     12.9411000             -0.0757750        
  5      8.0825100              0.0665900        
  6      4.9702700              0.2985190        
  7      1.7771000             -0.8076210        
  8      0.9950100             -0.7711620        
  9      0.5365460              1.4513640        
 10      0.2710670              0.5601930        
 11      0.1272520             -0.9311020        
 12      0.0586070             -0.2665940        
P   12
  1     53.1489000              0.0046160        
  2     33.1807000             -0.0212600        
  3     20.7203000              0.0324680        
  4     12.9411000              0.0409210        
  5      8.0825100              0.0091310        
  6      4.9702700             -0.6754230        
  7      1.7771000              3.0768790        
  8      0.9950100             -2.6418560        
  9      0.5365460             -1.2075110        
 10      0.2710670              2.5945410        
 11      0.1272520             -0.8176030        
 12      0.0586070             -0.4631340        
P   12
  1     53.1489000              0.0465730        
  2     33.1807000             -0.2446060        
  3     20.7203000              0.7206110        
  4     12.9411000             -1.5722170        
  5      8.0825100              2.1856100        
  6      4.9702700             -0.9564670        
  7      1.7771000             -4.1001950        
  8      0.9950100              8.7850890        
  9      0.5365460             -8.0886650        
 10      0.2710670              3.5879200        
 11      0.1272520              0.1045200        
 12      0.0586070             -0.8912610        
P   1
  1      0.0264540              1.0000000        
P   1
  1      0.0119000              1.0000000        
D   10
  1     43.8130000              0.0001190        
  2     19.8991000             -0.0011270        
  3     12.4262000              0.0081710        
  4      5.6402700             -0.0616520        
  5      1.8794500              0.1618800        
  6      1.0692500              0.2756330        
  7      0.5995540              0.3042190        
  8      0.3259080              0.2590940        
  9      0.1707020              0.1672860        
 10      0.0861840              0.0688650        
D   10
  1     43.8130000             -0.0001920        
  2     19.8991000              0.0016040        
  3     12.4262000             -0.0098070        
  4      5.6402700              0.0722610        
  5      1.8794500             -0.2126390        
  6      1.0692500             -0.4143280        
  7      0.5995540             -0.2072930        
  8      0.3259080              0.2166400        
  9      0.1707020              0.4503280        
 10      0.0861840              0.3260470        
D   10
  1     43.8130000              0.0006010        
  2     19.8991000             -0.0044620        
  3     12.4262000              0.0187110        
  4      5.6402700             -0.1203430        
  5      1.8794500              0.5070940        
  6      1.0692500              0.5686510        
  7      0.5995540             -0.5572300        
  8      0.3259080             -0.7057520        
  9      0.1707020              0.0897640        
 10      0.0861840              0.5713880        
D   10
  1     43.8130000              0.0019920        
  2     19.8991000             -0.0144700        
  3     12.4262000              0.0443120        
  4      5.6402700             -0.2210940        
  5      1.8794500              1.3855020        
  6      1.0692500             -0.4492360        
  7      0.5995540             -1.6111680        
  8      0.3259080              1.0072380        
  9      0.1707020              0.7000400        
 10      0.0861840             -0.5103520        
D   10
  1     43.8130000              0.0066070        
  2     19.8991000             -0.0416800        
  3     12.4262000              0.0540540        
  4      5.6402700              0.1831770        
  5      1.8794500             -2.8487810        
  6      1.0692500              4.7681860        
  7      0.5995540             -2.6811700        
  8      0.3259080             -0.6021470        
  9      0.1707020              1.4415890        
 10      0.0861840             -0.1580950        
D   1
  1      0.0410370              1.0000000        
D   1
  1      0.0195000              1.0000000        
F   1
  1      1.8012000              1.0000000        
F   1
  1      0.8781000              1.0000000        
F   1
  1      0.4281000              1.0000000        
F   1
  1      0.2087000              1.0000000        
F   1
  1      0.0804000              1.0000000        
G   1
  1      2.1503000              1.0000000        
G   1
  1      0.9139000              1.0000000        
G   1
  1      0.3884000              1.0000000        
G   1
  1      0.1549000              1.0000000        
H   1
  1      1.6762000              1.0000000        
H   1
  1      0.6562000              1.0000000        
H   1
  1      0.2754000              1.0000000        
I   1
  1      1.3796000              1.0000000        
I   1
  1      0.6841000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Pt
data:
PLATINUM
S   15
  1    413.6000000              0.0000060        
  2    103.5350000              0.0004160        
  3     64.1243000             -0.0038720        
  4     39.8615000              0.0264020        
  5     24.7987000             -0.1193560        
  6     13.9302000              0.3575240        
  7      7.8013800             -0.1644950        
  8      4.8699100             -0.6967770        
  9      2.7428100             -0.0777230        
 10      1.7119200              0.5375150        
 11      1.0158000              0.6169060        
 12      0.5725730              0.2761470        
 13      0.2878640              0.0315070        
 14      0.1415920              0.0018730        
 15      0.0675100              0.0015970        
S   15
  1    413.6000000             -0.0000030        
  2    103.5350000             -0.0001160        
  3     64.1243000              0.0011680        
  4     39.8615000             -0.0085740        
  5     24.7987000              0.0407120        
  6     13.9302000             -0.1279210        
  7      7.8013800              0.0692260        
  8      4.8699100              0.2586680        
  9      2.7428100              0.0219490        
 10      1.7119200             -0.2466890        
 11      1.0158000             -0.3419970        
 12      0.5725730             -0.2239690        
 13      0.2878640              0.0985710        
 14      0.1415920              0.4687040        
 15      0.0675100              0.5216110        
S   15
  1    413.6000000             -0.0000090        
  2    103.5350000             -0.0001020        
  3     64.1243000              0.0016960        
  4     39.8615000             -0.0155390        
  5     24.7987000              0.0798540        
  6     13.9302000             -0.2597120        
  7      7.8013800              0.1412320        
  8      4.8699100              0.5472760        
  9      2.7428100              0.1708990        
 10      1.7119200             -0.8336090        
 11      1.0158000             -1.2372210        
 12      0.5725730              0.5347410        
 13      0.2878640              1.6196050        
 14      0.1415920              0.0999360        
 15      0.0675100             -0.8380750        
S   15
  1    413.6000000             -0.0000230        
  2    103.5350000              0.0001920        
  3     64.1243000              0.0006930        
  4     39.8615000             -0.0173180        
  5     24.7987000              0.1061720        
  6     13.9302000             -0.3657080        
  7      7.8013800              0.1730430        
  8      4.8699100              0.9047650        
  9      2.7428100              0.7788370        
 10      1.7119200             -3.6748070        
 11      1.0158000             -0.2814290        
 12      0.5725730              4.3832080        
 13      0.2878640             -1.3107940        
 14      0.1415920             -2.0136030        
 15      0.0675100              0.8160260        
S   15
  1    413.6000000              0.0001010        
  2    103.5350000             -0.0028110        
  3     64.1243000              0.0117530        
  4     39.8615000             -0.0121690        
  5     24.7987000             -0.0757860        
  6     13.9302000              0.3634740        
  7      7.8013800              0.2182630        
  8      4.8699100             -2.5719310        
  9      2.7428100              0.7049640        
 10      1.7119200              8.4353250        
 11      1.0158000            -10.7771740        
 12      0.5725730              2.0354810        
 13      0.2878640              4.8458390        
 14      0.1415920             -3.8200850        
 15      0.0675100             -0.1992670        
S   15
  1    413.6000000              0.0007230        
  2    103.5350000             -0.0245520        
  3     64.1243000              0.1165430        
  4     39.8615000             -0.2862430        
  5     24.7987000              0.3824860        
  6     13.9302000             -0.4129910        
  7      7.8013800              2.9730610        
  8      4.8699100            -10.5360960        
  9      2.7428100             17.8678350        
 10      1.7119200             -8.5137410        
 11      1.0158000            -10.8888750        
 12      0.5725730             16.9161650        
 13      0.2878640            -10.5173940        
 14      0.1415920              2.4231110        
 15      0.0675100              2.1083970        
S   1
  1      0.0318870              1.0000000        
S   1
  1      0.0151000              1.0000000        
P   12
  1    393.3780000              0.0000050        
  2     34.4003000              0.0019530        
  3     21.4843000             -0.0225700        
  4     13.4194000              0.1043340        
  5      8.3804900             -0.1002180        
  6      5.1899400             -0.2322400        
  7      1.8586300              0.3832730        
  8      1.0315300              0.4888420        
  9      0.5492050              0.2701700        
 10      0.2700570              0.0549560        
 11      0.1241700              0.0032310        
 12      0.0562650              0.0007140        
P   12
  1    393.3780000             -0.0000010        
  2     34.4003000             -0.0005970        
  3     21.4843000              0.0067220        
  4     13.4194000             -0.0315200        
  5      8.3804900              0.0334640        
  6      5.1899400              0.0654460        
  7      1.8586300             -0.1329850        
  8      1.0315300             -0.1837780        
  9      0.5492050             -0.0979100        
 10      0.2700570              0.1553100        
 11      0.1241700              0.4305860        
 12      0.0562650              0.4499480        
P   12
  1    393.3780000             -0.0000040        
  2     34.4003000             -0.0010070        
  3     21.4843000              0.0133030        
  4     13.4194000             -0.0659420        
  5      8.3804900              0.0680320        
  6      5.1899400              0.1546200        
  7      1.8586300             -0.3345030        
  8      1.0315300             -0.4867300        
  9      0.5492050              0.0680490        
 10      0.2700570              0.6768730        
 11      0.1241700              0.4130540        
 12      0.0562650              0.0407020        
P   12
  1    393.3780000             -0.0000200        
  2     34.4003000              0.0006900        
  3     21.4843000              0.0096580        
  4     13.4194000             -0.0763270        
  5      8.3804900              0.0588180        
  6      5.1899400              0.3278770        
  7      1.8586300             -0.9464050        
  8      1.0315300             -0.6305640        
  9      0.5492050              1.6323920        
 10      0.2700570              0.2341700        
 11      0.1241700             -0.9225510        
 12      0.0562650             -0.1668600        
P   12
  1    393.3780000              0.0000310        
  2     34.4003000             -0.0011490        
  3     21.4843000             -0.0147660        
  4     13.4194000              0.1225100        
  5      8.3804900             -0.0880640        
  6      5.1899400             -0.6398770        
  7      1.8586300              3.3651140        
  8      1.0315300             -3.4776510        
  9      0.5492050             -0.2409940        
 10      0.2700570              2.2262310        
 11      0.1241700             -1.0132520        
 12      0.0562650             -0.3037430        
P   12
  1    393.3780000             -0.0005760        
  2     34.4003000              0.1051820        
  3     21.4843000             -0.5513360        
  4     13.4194000              1.5580790        
  5      8.3804900             -2.4882440        
  6      5.1899400              1.3706840        
  7      1.8586300              3.5240310        
  8      1.0315300             -8.2203150        
  9      0.5492050              8.1974080        
 10      0.2700570             -4.3726250        
 11      0.1241700              0.7179430        
 12      0.0562650              0.5610450        
P   1
  1      0.0251200              1.0000000        
P   1
  1      0.0112000              1.0000000        
D   10
  1     58.1968000              0.0000860        
  2     20.2554000             -0.0006670        
  3     12.6079000              0.0076160        
  4      5.8790400             -0.0613110        
  5      1.9818600              0.1725670        
  6      1.1232200              0.2879770        
  7      0.6296090              0.3035360        
  8      0.3455230              0.2480300        
  9      0.1837110              0.1567080        
 10      0.0939850              0.0638530        
D   10
  1     58.1968000             -0.0001370        
  2     20.2554000              0.0010940        
  3     12.6079000             -0.0095830        
  4      5.8790400              0.0753300        
  5      1.9818600             -0.2469430        
  6      1.1232200             -0.4422110        
  7      0.6296090             -0.1577800        
  8      0.3455230              0.2625890        
  9      0.1837110              0.4399190        
 10      0.0939850              0.2968390        
D   10
  1     58.1968000              0.0004750        
  2     20.2554000             -0.0045800        
  3     12.6079000              0.0208790        
  4      5.8790400             -0.1273270        
  5      1.9818600              0.5802830        
  6      1.1232200              0.5251810        
  7      0.6296090             -0.7014920        
  8      0.3455230             -0.6187960        
  9      0.1837110              0.1625180        
 10      0.0939850              0.5585850        
D   10
  1     58.1968000              0.0008940        
  2     20.2554000             -0.0093280        
  3     12.6079000              0.0388740        
  4      5.8790400             -0.2284820        
  5      1.9818600              1.6233820        
  6      1.1232200             -0.9640830        
  7      0.6296090             -1.3247310        
  8      0.3455230              1.1506530        
  9      0.1837110              0.5492260        
 10      0.0939850             -0.5367150        
D   10
  1     58.1968000              0.0057080        
  2     20.2554000             -0.0592650        
  3     12.6079000              0.1047510        
  4      5.8790400              0.1049320        
  5      1.9818600             -2.8794460        
  6      1.1232200              5.3285780        
  7      0.6296090             -3.7713170        
  8      0.3455230              0.2708710        
  9      0.1837110              1.1748770        
 10      0.0939850             -0.1838840        
D   1
  1      0.0451010              1.0000000        
D   1
  1      0.0216000              1.0000000        
F   1
  1      1.9666000              1.0000000        
F   1
  1      0.9739000              1.0000000        
F   1
  1      0.4823000              1.0000000        
F   1
  1      0.2388000              1.0000000        
F   1
  1      0.0932000              1.0000000        
G   1
  1      2.3675000              1.0000000        
G   1
  1      1.0229000              1.0000000        
G   1
  1      0.4419000              1.0000000        
G   1
  1      0.1789000              1.0000000        
H   1
  1      1.8436000              1.0000000        
H   1
  1      0.7332000              1.0000000        
H   1
  1      0.3139000              1.0000000        
I   1
  1      1.5370000              1.0000000        
I   1
  1      0.7937000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Au
data:
GOLD
S   15
  1   2324.0400000              0.0000030        
  2    917.0200000              0.0000070        
  3     99.3091000              0.0007340        
  4     61.7576000             -0.0058780        
  5     38.3722000              0.0385850        
  6     23.9629000             -0.1865180        
  7     14.8518000              0.4461470        
  8      7.9748000             -0.2767230        
  9      4.7979000             -0.6689850        
 10      1.7624500              0.5133410        
 11      1.0927300              0.5929010        
 12      0.6305580              0.2922540        
 13      0.3220500              0.0368020        
 14      0.1500280              0.0018270        
 15      0.0707590              0.0017390        
S   15
  1   2324.0400000             -0.0000010        
  2    917.0200000             -0.0000020        
  3     99.3091000             -0.0002580        
  4     61.7576000              0.0019860        
  5     38.3722000             -0.0129440        
  6     23.9629000              0.0639630        
  7     14.8518000             -0.1584020        
  8      7.9748000              0.1115380        
  9      4.7979000              0.2433180        
 10      1.7624500             -0.2557840        
 11      1.0927300             -0.3014930        
 12      0.6305580             -0.2435690        
 13      0.3220500              0.0919910        
 14      0.1500280              0.4686120        
 15      0.0707590              0.5189930        
S   15
  1   2324.0400000              0.0000010        
  2    917.0200000             -0.0000140        
  3     99.3091000              0.0002500        
  4     61.7576000             -0.0001510        
  5     38.3722000             -0.0138720        
  6     23.9629000              0.1050350        
  7     14.8518000             -0.2897480        
  8      7.9748000              0.1796510        
  9      4.7979000              0.5943520        
 10      1.7624500             -0.7488720        
 11      1.0927300             -1.1281840        
 12      0.6305580              0.3356590        
 13      0.3220500              1.5685050        
 14      0.1500280              0.2609500        
 15      0.0707590             -0.7758610        
S   15
  1   2324.0400000             -0.0000090        
  2    917.0200000              0.0000410        
  3     99.3091000             -0.0020850        
  4     61.7576000              0.0096910        
  5     38.3722000             -0.0093610        
  6     23.9629000             -0.0861150        
  7     14.8518000              0.3172260        
  8      7.9748000             -0.0933720        
  9      4.7979000             -1.1703940        
 10      1.7624500              2.5650190        
 11      1.0927300              1.0641460        
 12      0.6305580             -4.0684610        
 13      0.3220500              0.4163440        
 14      0.1500280              2.2127530        
 15      0.0707590             -0.4168730        
S   15
  1   2324.0400000              0.0000200        
  2    917.0200000             -0.0000340        
  3     99.3091000              0.0040870        
  4     61.7576000             -0.0226460        
  5     38.3722000              0.0858390        
  6     23.9629000             -0.2978880        
  7     14.8518000              0.6630540        
  8      7.9748000             -0.3769950        
  9      4.7979000             -1.7399470        
 10      1.7624500              8.4493490        
 11      1.0927300             -8.5698740        
 12      0.6305580             -1.1404380        
 13      0.3220500              5.7154930        
 14      0.1500280             -2.7155450        
 15      0.0707590             -1.2377560        
S   15
  1   2324.0400000              0.0004160        
  2    917.0200000             -0.0011660        
  3     99.3091000              0.0936780        
  4     61.7576000             -0.4949870        
  5     38.3722000              1.4412710        
  6     23.9629000             -2.9997630        
  7     14.8518000              4.5126530        
  8      7.9748000             -5.6937090        
  9      4.7979000              2.4951180        
 10      1.7624500             12.9078360        
 11      1.0927300            -27.4768700        
 12      0.6305580             23.5667430        
 13      0.3220500            -10.0647980        
 14      0.1500280              0.4894190        
 15      0.0707590              2.9837850        
S   1
  1      0.0333870              1.0000000        
S   1
  1      0.0158000              1.0000000        
P   12
  1    328.7810000              0.0000100        
  2     34.4634000              0.0021880        
  3     21.5245000             -0.0247150        
  4     13.4462000              0.1189910        
  5      8.3993700             -0.1383110        
  6      5.2105900             -0.2161190        
  7      2.0397000              0.3448980        
  8      1.1690300              0.4866170        
  9      0.6362200              0.2999080        
 10      0.3221190              0.0712870        
 11      0.1443720              0.0052310        
 12      0.0637590              0.0005760        
P   12
  1    328.7810000             -0.0000030        
  2     34.4634000             -0.0006050        
  3     21.5245000              0.0070450        
  4     13.4462000             -0.0351680        
  5      8.3993700              0.0440350        
  6      5.2105900              0.0615980        
  7      2.0397000             -0.1214490        
  8      1.1690300             -0.1779290        
  9      0.6362200             -0.1200270        
 10      0.3221190              0.1180530        
 11      0.1443720              0.4178910        
 12      0.0637590              0.4778420        
P   12
  1    328.7810000             -0.0000100        
  2     34.4634000             -0.0008980        
  3     21.5245000              0.0131860        
  4     13.4462000             -0.0709570        
  5      8.3993700              0.0869630        
  6      5.2105900              0.1454040        
  7      2.0397000             -0.2952900        
  8      1.1690300             -0.4670080        
  9      0.6362200             -0.0675000        
 10      0.3221190              0.6517920        
 11      0.1443720              0.4987270        
 12      0.0637590              0.0579680        
P   12
  1    328.7810000             -0.0000250        
  2     34.4634000             -0.0001830        
  3     21.5245000              0.0148010        
  4     13.4462000             -0.0986940        
  5      8.3993700              0.1097700        
  6      5.2105900              0.3092700        
  7      2.0397000             -0.8356210        
  8      1.1690300             -0.8317760        
  9      0.6362200              1.4766380        
 10      0.3221190              0.5536050        
 11      0.1443720             -0.9377790        
 12      0.0637590             -0.2393930        
P   12
  1    328.7810000              0.0000590        
  2     34.4634000             -0.0023740        
  3     21.5245000             -0.0097520        
  4     13.4462000              0.1231730        
  5      8.3993700             -0.1055430        
  6      5.2105900             -0.7086340        
  7      2.0397000              3.3577160        
  8      1.1690300             -2.8092060        
  9      0.6362200             -1.2280120        
 10      0.3221190              2.5200060        
 11      0.1443720             -0.7479720        
 12      0.0637590             -0.4731810        
P   12
  1    328.7810000             -0.0005040        
  2     34.4634000              0.0721520        
  3     21.5245000             -0.3918880        
  4     13.4462000              1.1926390        
  5      8.3993700             -1.9979090        
  6      5.2105900              0.8884800        
  7      2.0397000              4.5723960        
  8      1.1690300             -9.4113300        
  9      0.6362200              8.2266020        
 10      0.3221190             -3.4028110        
 11      0.1443720             -0.2106510        
 12      0.0637590              0.9266450        
P   1
  1      0.0277220              1.0000000        
P   1
  1      0.0121000              1.0000000        
D   10
  1     62.0309000              0.0000860        
  2     21.0988000             -0.0007960        
  3     13.1200000              0.0091360        
  4      6.3125700             -0.0663010        
  5      2.1414500              0.1655630        
  6      1.2993700              0.2414410        
  7      0.8103580              0.2710220        
  8      0.4727070              0.2680130        
  9      0.2556480              0.1868750        
 10      0.1308950              0.0813140        
D   10
  1     62.0309000             -0.0001590        
  2     21.0988000              0.0014750        
  3     13.1200000             -0.0128510        
  4      6.3125700              0.0909690        
  5      2.1414500             -0.2740770        
  6      1.2993700             -0.4448840        
  7      0.8103580             -0.2023240        
  8      0.4727070              0.2203780        
  9      0.2556480              0.4855030        
 10      0.1308950              0.3016470        
D   10
  1     62.0309000              0.0005970        
  2     21.0988000             -0.0065350        
  3     13.1200000              0.0294950        
  4      6.3125700             -0.1581000        
  5      2.1414500              0.6914270        
  6      1.2993700              0.5919970        
  7      0.8103580             -0.7766420        
  8      0.4727070             -0.7384040        
  9      0.2556480              0.1831700        
 10      0.1308950              0.5878850        
D   10
  1     62.0309000              0.0005220        
  2     21.0988000             -0.0063810        
  3     13.1200000              0.0389850        
  4      6.3125700             -0.2607860        
  5      2.1414500              2.0352880        
  6      1.2993700             -1.3991200        
  7      0.8103580             -1.4153190        
  8      0.4727070              1.1668610        
  9      0.2556480              0.7703110        
 10      0.1308950             -0.6531500        
D   10
  1     62.0309000              0.0066450        
  2     21.0988000             -0.0728300        
  3     13.1200000              0.1334930        
  4      6.3125700              0.1136240        
  5      2.1414500             -3.8897240        
  6      1.2993700              7.9048990        
  7      0.8103580             -5.6743970        
  8      0.4727070              0.4856670        
  9      0.2556480              1.2298520        
 10      0.1308950             -0.0718890        
D   1
  1      0.0627790              1.0000000        
D   1
  1      0.0301000              1.0000000        
F   1
  1      2.3078000              1.0000000        
F   1
  1      1.1338000              1.0000000        
F   1
  1      0.5571000              1.0000000        
F   1
  1      0.2737000              1.0000000        
F   1
  1      0.1095000              1.0000000        
G   1
  1      2.5570000              1.0000000        
G   1
  1      1.1302000              1.0000000        
G   1
  1      0.4996000              1.0000000        
G   1
  1      0.2065000              1.0000000        
H   1
  1      2.0148000              1.0000000        
H   1
  1      0.8107000              1.0000000        
H   1
  1      0.3525000              1.0000000        
I   1
  1      1.6822000              1.0000000        
I   1
  1      0.8919000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Hg
data:
MERCURY
S   15
  1  24256.2000000              0.0000030        
  2   3773.4800000              0.0000180        
  3    899.9870000              0.0000790        
  4    252.0940000              0.0002410        
  5     34.3579000              0.0149450        
  6     21.3757000             -0.1402310        
  7     13.3011000              0.4915750        
  8      8.2431100             -0.3623860        
  9      4.9065100             -0.6738120        
 10      1.9632300              0.4542010        
 11      1.2039600              0.6644760        
 12      0.6707910              0.3089550        
 13      0.3304660              0.0321810        
 14      0.1568260             -0.0000440        
 15      0.0736300              0.0003260        
S   15
  1  24256.2000000             -0.0000010        
  2   3773.4800000             -0.0000070        
  3    899.9870000             -0.0000290        
  4    252.0940000             -0.0000970        
  5     34.3579000             -0.0049950        
  6     21.3757000              0.0491500        
  7     13.3011000             -0.1827300        
  8      8.2431100              0.1565560        
  9      4.9065100              0.2414620        
 10      1.9632300             -0.2299770        
 11      1.2039600             -0.3456990        
 12      0.6707910             -0.2495710        
 13      0.3304660              0.1161800        
 14      0.1568260              0.4871720        
 15      0.0736300              0.5069390        
S   15
  1  24256.2000000             -0.0000020        
  2   3773.4800000             -0.0000170        
  3    899.9870000             -0.0000590        
  4    252.0940000             -0.0002570        
  5     34.3579000             -0.0089590        
  6     21.3757000              0.0993720        
  7     13.3011000             -0.3892820        
  8      8.2431100              0.3190820        
  9      4.9065100              0.6496910        
 10      1.9632300             -0.7945380        
 11      1.2039600             -1.4060670        
 12      0.6707910              0.6675340        
 13      0.3304660              1.7043280        
 14      0.1568260             -0.1245670        
 15      0.0736300             -0.8011920        
S   15
  1  24256.2000000             -0.0000020        
  2   3773.4800000             -0.0000310        
  3    899.9870000             -0.0000380        
  4    252.0940000             -0.0005310        
  5     34.3579000             -0.0002660        
  6     21.3757000              0.0731990        
  7     13.3011000             -0.3664980        
  8      8.2431100              0.1094650        
  9      4.9065100              1.5137210        
 10      1.9632300             -3.2985820        
 11      1.2039600             -0.8118000        
 12      0.6707910              5.2250350        
 13      0.3304660             -2.1531590        
 14      0.1568260             -1.7372880        
 15      0.0736300              1.2073990        
S   15
  1  24256.2000000              0.0000060        
  2   3773.4800000              0.0000200        
  3    899.9870000              0.0002590        
  4    252.0940000              0.0000910        
  5     34.3579000              0.0479380        
  6     21.3757000             -0.3555650        
  7     13.3011000              1.2352560        
  8      8.2431100             -1.2614050        
  9      4.9065100             -1.8952780        
 10      1.9632300             12.3238010        
 11      1.2039600            -16.1789660        
 12      0.6707910              5.7670460        
 13      0.3304660              3.3827640        
 14      0.1568260             -4.6070450        
 15      0.0736300              1.4773980        
S   15
  1  24256.2000000              0.0000370        
  2   3773.4800000             -0.0002500        
  3    899.9870000              0.0023360        
  4    252.0940000             -0.0071530        
  5     34.3579000              0.5499930        
  6     21.3757000             -2.9698880        
  7     13.3011000              8.4001390        
  8      8.2431100            -13.2880990        
  9      4.9065100              9.4759520        
 10      1.9632300              4.2099070        
 11      1.2039600            -18.5514760        
 12      0.6707910             22.5058300        
 13      0.3304660            -16.4322810        
 14      0.1568260              8.4903940        
 15      0.0736300             -2.0261440        
S   1
  1      0.0344940              1.0000000        
S   1
  1      0.0162000              1.0000000        
P   12
  1    288.3090000              0.0000210        
  2     36.9924000              0.0018080        
  3     22.7990000             -0.0173540        
  4     13.0084000              0.1210320        
  5      8.1259700             -0.1882700        
  6      5.0778000             -0.1876530        
  7      2.1721700              0.3651650        
  8      1.2037300              0.5184010        
  9      0.6327000              0.2812800        
 10      0.3046780              0.0517170        
 11      0.1378950              0.0024510        
 12      0.0613020              0.0007250        
P   12
  1    288.3090000             -0.0000060        
  2     36.9924000             -0.0004730        
  3     22.7990000              0.0047100        
  4     13.0084000             -0.0345910        
  5      8.1259700              0.0577730        
  6      5.0778000              0.0499530        
  7      2.1721700             -0.1229220        
  8      1.2037300             -0.1841060        
  9      0.6327000             -0.0998690        
 10      0.3046780              0.1448820        
 11      0.1378950              0.4229010        
 12      0.0613020              0.4578930        
P   12
  1    288.3090000             -0.0000160        
  2     36.9924000             -0.0008160        
  3     22.7990000              0.0092200        
  4     13.0084000             -0.0716170        
  5      8.1259700              0.1189490        
  6      5.0778000              0.1172920        
  7      2.1721700             -0.2895890        
  8      1.2037300             -0.4859980        
  9      0.6327000              0.0129370        
 10      0.3046780              0.6697570        
 11      0.1378950              0.4412980        
 12      0.0613020              0.0470940        
P   12
  1    288.3090000              0.0000400        
  2     36.9924000              0.0002120        
  3     22.7990000             -0.0101090        
  4     13.0084000              0.1037390        
  5      8.1259700             -0.1635530        
  6      5.0778000             -0.2842960        
  7      2.1721700              0.8632620        
  8      1.2037300              0.8006590        
  9      0.6327000             -1.6073300        
 10      0.3046780             -0.3404670        
 11      0.1378950              0.9449840        
 12      0.0613020              0.1575370        
P   12
  1    288.3090000             -0.0000840        
  2     36.9924000              0.0012770        
  3     22.7990000              0.0088120        
  4     13.0084000             -0.1473780        
  5      8.1259700              0.2207080        
  6      5.0778000              0.6673770        
  7      2.1721700             -3.3382180        
  8      1.2037300              2.9409630        
  9      0.6327000              0.7752990        
 10      0.3046780             -2.3927820        
 11      0.1378950              1.0171480        
 12      0.0613020              0.3120220        
P   12
  1    288.3090000              0.0007530        
  2     36.9924000             -0.0668820        
  3     22.7990000              0.3141000        
  4     13.0084000             -1.1946480        
  5      8.1259700              2.4403600        
  6      5.0778000             -1.4844780        
  7      2.1721700             -3.6799730        
  8      1.2037300              8.1501310        
  9      0.6327000             -7.6441180        
 10      0.3046780              3.8692040        
 11      0.1378950             -0.5225200        
 12      0.0613020             -0.6150040        
P   1
  1      0.0269050              1.0000000        
P   1
  1      0.0118000              1.0000000        
D   10
  1    154.4910000              0.0000180        
  2     37.9614000              0.0003490        
  3     23.3802000             -0.0014990        
  4     14.3727000              0.0093000        
  5      6.6541500             -0.0667360        
  6      2.2020300              0.2007360        
  7      1.2220700              0.3346350        
  8      0.6600980              0.3302200        
  9      0.3460210              0.2287980        
 10      0.1747850              0.1025690        
D   10
  1    154.4910000              0.0000040        
  2     37.9614000             -0.0011470        
  3     23.3802000              0.0042700        
  4     14.3727000             -0.0161490        
  5      6.6541500              0.1016560        
  6      2.2020300             -0.3968020        
  7      1.2220700             -0.5537970        
  8      0.6600980              0.1165630        
  9      0.3460210              0.5310330        
 10      0.1747850              0.3419080        
D   10
  1    154.4910000              0.0001880        
  2     37.9614000             -0.0058490        
  3     23.3802000              0.0211390        
  4     14.3727000             -0.0471680        
  5      6.6541500              0.1905930        
  6      2.2020300             -1.0589730        
  7      1.2220700             -0.0180850        
  8      0.6600980              1.3513820        
  9      0.3460210             -0.2038810        
 10      0.1747850             -0.6419630        
D   10
  1    154.4910000              0.0006730        
  2     37.9614000             -0.0124050        
  3     23.3802000              0.0394630        
  4     14.3727000             -0.0309370        
  5      6.6541500             -0.1963830        
  6      2.2020300              2.4360170        
  7      1.2220700             -3.4313870        
  8      0.6600980              1.1267870        
  9      0.3460210              1.1238320        
 10      0.1747850             -0.8229660        
D   10
  1    154.4910000              0.0060650        
  2     37.9614000             -0.1324840        
  3     23.3802000              0.4485970        
  4     14.3727000             -0.6302650        
  5      6.6541500              0.4723660        
  6      2.2020300              1.9586280        
  7      1.2220700             -5.3396920        
  8      0.6600980              6.6326640        
  9      0.3460210             -4.7620760        
 10      0.1747850              1.5787430        
D   1
  1      0.0831130              1.0000000        
D   1
  1      0.0395000              1.0000000        
F   1
  1      2.5850000              1.0000000        
F   1
  1      1.2745000              1.0000000        
F   1
  1      0.6284000              1.0000000        
F   1
  1      0.3098000              1.0000000        
F   1
  1      0.1258000              1.0000000        
G   1
  1      2.8458000              1.0000000        
G   1
  1      1.2668000              1.0000000        
G   1
  1      0.5639000              1.0000000        
G   1
  1      0.2372000              1.0000000        
H   1
  1      2.1886000              1.0000000        
H   1
  1      0.8884000              1.0000000        
H   1
  1      0.3915000              1.0000000        
I   1
  1      1.8261000              1.0000000        
I   1
  1      0.9888000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Tl
data:
THALLIUM
S   11
  1  24779.2000000              0.0000020        
  2   4291.5900000              0.0000140        
  3   1100.5600000              0.0000640        
  4    301.3150000              0.0002190        
  5     33.6611000              0.0216670        
  6     21.0398000             -0.1981520        
  7     13.1518000              0.6902620        
  8      8.2204900             -0.6242260        
  9      4.8960100             -0.6028630        
 10      2.0188000              0.5829170        
 11      1.1647400              0.6744600        
S   11
  1  24779.2000000              0.0000010        
  2   4291.5900000              0.0000060        
  3   1100.5600000              0.0000240        
  4    301.3150000              0.0001000        
  5     33.6611000              0.0074740        
  6     21.0398000             -0.0732470        
  7     13.1518000              0.2725540        
  8      8.2204900             -0.2751310        
  9      4.8960100             -0.2303460        
 10      2.0188000              0.3044120        
 11      1.1647400              0.4276890        
S   1
  1      0.6402480              1.0000000        
S   1
  1      0.3292660              1.0000000        
S   1
  1      0.1685090              1.0000000        
S   1
  1      0.0836670              1.0000000        
S   1
  1      0.0397310              1.0000000        
S   1
  1      0.0139000              1.0000000        
P   8
  1    238.8160000              0.0000550        
  2     33.7189000              0.0031600        
  3     21.0738000             -0.0278660        
  4     13.1714000              0.1259630        
  5      6.9298400             -0.3211460        
  6      4.3311200             -0.0566560        
  7      2.1490400              0.4499920        
  8      1.1560700              0.5213450        
P   8
  1    238.8160000             -0.0000160        
  2     33.7189000             -0.0006410        
  3     21.0738000              0.0062120        
  4     13.1714000             -0.0306000        
  5      6.9298400              0.0856170        
  6      4.3311200              0.0064970        
  7      2.1490400             -0.1295200        
  8      1.1560700             -0.1654470        
P   1
  1      0.5955190              1.0000000        
P   1
  1      0.2689230              1.0000000        
P   1
  1      0.1217440              1.0000000        
P   1
  1      0.0541370              1.0000000        
P   1
  1      0.0238510              1.0000000        
P   1
  1      0.0079000              1.0000000        
D   8
  1    359.9200000              0.0000040        
  2    141.7010000              0.0000280        
  3     51.3298000              0.0002060        
  4     10.5875000              0.0197440        
  5      6.4543600             -0.0905470        
  6      2.4050100              0.1826240        
  7      1.4472400              0.2889170        
  8      0.8698190              0.3047840        
D   1
  1      0.5052270              1.0000000        
D   1
  1      0.2783030              1.0000000        
D   1
  1      0.1438170              1.0000000        
D   1
  1      0.0620000              1.0000000        
D   1
  1      0.0217000              1.0000000        
F   1
  1      0.5080000              1.0000000        
F   1
  1      0.2518000              1.0000000        
F   1
  1      0.1248000              1.0000000        
F   1
  1      0.0470000              1.0000000        
G   1
  1      0.5124000              1.0000000        
G   1
  1      0.2420000              1.0000000        
G   1
  1      0.0990000              1.0000000        
H   1
  1      0.4583000              1.0000000        
H   1
  1      0.2315000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Pb
data:
LEAD
S   11
  1  24689.5000000              0.0000040        
  2   4473.2300000              0.0000230        
  3   1061.6600000              0.0001140        
  4    279.2390000              0.0003680        
  5     34.7542000              0.0230860        
  6     21.7097000             -0.2044980        
  7     13.5637000              0.7125610        
  8      8.4734700             -0.6539600        
  9      5.1195600             -0.6010240        
 10      2.1199600              0.5864660        
 11      1.2552900              0.6575120        
S   11
  1  24689.5000000              0.0000020        
  2   4473.2300000              0.0000110        
  3   1061.6600000              0.0000470        
  4    279.2390000              0.0001790        
  5     34.7542000              0.0084660        
  6     21.7097000             -0.0804050        
  7     13.5637000              0.3008160        
  8      8.4734700             -0.3110180        
  9      5.1195600             -0.2413340        
 10      2.1199600              0.3276360        
 11      1.2552900              0.4519120        
S   1
  1      0.7202840              1.0000000        
S   1
  1      0.3778020              1.0000000        
S   1
  1      0.1976990              1.0000000        
S   1
  1      0.0986230              1.0000000        
S   1
  1      0.0470370              1.0000000        
S   1
  1      0.0190000              1.0000000        
P   8
  1    240.5890000              0.0000700        
  2     39.7768000              0.0015640        
  3     20.4279000             -0.0264930        
  4     12.7405000              0.1588410        
  5      7.5519000             -0.3274080        
  6      4.7200300             -0.1057490        
  7      2.3715200              0.4192430        
  8      1.2982400              0.5397190        
P   8
  1    240.5890000             -0.0000240        
  2     39.7768000             -0.0003750        
  3     20.4279000              0.0070140        
  4     12.7405000             -0.0458000        
  5      7.5519000              0.1031770        
  6      4.7200300              0.0213640        
  7      2.3715200             -0.1410220        
  8      1.2982400             -0.2019880        
P   1
  1      0.6810700              1.0000000        
P   1
  1      0.3176500              1.0000000        
P   1
  1      0.1513980              1.0000000        
P   1
  1      0.0703100              1.0000000        
P   1
  1      0.0318450              1.0000000        
P   1
  1      0.0130000              1.0000000        
D   8
  1    345.3720000              0.0000090        
  2    117.6440000              0.0000650        
  3     46.1653000              0.0003370        
  4     12.5614000              0.0114430        
  5      6.7103300             -0.0753070        
  6      2.5823000              0.1800080        
  7      1.5720800              0.2985180        
  8      0.9394450              0.3215610        
D   1
  1      0.5416330              1.0000000        
D   1
  1      0.3005880              1.0000000        
D   1
  1      0.1597120              1.0000000        
D   1
  1      0.0726000              1.0000000        
D   1
  1      0.0294000              1.0000000        
F   1
  1      0.5329000              1.0000000        
F   1
  1      0.2677000              1.0000000        
F   1
  1      0.1345000              1.0000000        
F   1
  1      0.0585000              1.0000000        
G   1
  1      0.5368000              1.0000000        
G   1
  1      0.2550000              1.0000000        
G   1
  1      0.1156000              1.0000000        
H   1
  1      0.4831000              1.0000000        
H   1
  1      0.2593000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Bi
data:
BISMUTH
S   11
  1  26111.4000000              0.0000070        
  2   3868.0900000              0.0000520        
  3    869.4990000              0.0002450        
  4    238.7410000              0.0006630        
  5     36.6745000              0.0211220        
  6     22.9129000             -0.1819260        
  7     14.3185000              0.6347220        
  8      8.9484800             -0.5465570        
  9      5.2606800             -0.7303930        
 10      3.1208900              0.2672950        
 11      1.7055600              0.8380310        
S   11
  1  26111.4000000             -0.0000030        
  2   3868.0900000             -0.0000260        
  3    869.4990000             -0.0001150        
  4    238.7410000             -0.0003420        
  5     36.6745000             -0.0083840        
  6     22.9129000              0.0766690        
  7     14.3185000             -0.2880390        
  8      8.9484800              0.2856240        
  9      5.2606800              0.3183520        
 10      3.1208900             -0.1487960        
 11      1.7055600             -0.5500530        
S   1
  1      0.9284240              1.0000000        
S   1
  1      0.4337070              1.0000000        
S   1
  1      0.2386830              1.0000000        
S   1
  1      0.1202630              1.0000000        
S   1
  1      0.0577550              1.0000000        
S   1
  1      0.0233000              1.0000000        
P   8
  1    267.3460000              0.0000840        
  2     50.0862000              0.0009300        
  3     20.5562000             -0.0243210        
  4     12.8441000              0.1731620        
  5      8.0272800             -0.3326240        
  6      5.0173400             -0.1218380        
  7      2.5056800              0.4228110        
  8      1.3820500              0.5453330        
P   8
  1    267.3460000             -0.0000310        
  2     50.0862000             -0.0002620        
  3     20.5562000              0.0072640        
  4     12.8441000             -0.0564200        
  5      8.0272800              0.1186900        
  6      5.0173400              0.0274020        
  7      2.5056800             -0.1597200        
  8      1.3820500             -0.2315390        
P   1
  1      0.7339630              1.0000000        
P   1
  1      0.3494940              1.0000000        
P   1
  1      0.1712190              1.0000000        
P   1
  1      0.0821660              1.0000000        
P   1
  1      0.0383820              1.0000000        
P   1
  1      0.0160000              1.0000000        
D   8
  1    174.9150000              0.0000580        
  2     51.9301000              0.0004330        
  3     13.6852000              0.0103670        
  4      6.8874300             -0.0777290        
  5      4.1825000              0.0106610        
  6      2.6122700              0.2111050        
  7      1.5458400              0.3425200        
  8      0.8937710              0.3300380        
D   1
  1      0.5018990              1.0000000        
D   1
  1      0.2723090              1.0000000        
D   1
  1      0.1484480              1.0000000        
D   1
  1      0.0788000              1.0000000        
D   1
  1      0.0348000              1.0000000        
F   1
  1      0.5654000              1.0000000        
F   1
  1      0.2937000              1.0000000        
F   1
  1      0.1525000              1.0000000        
F   1
  1      0.0635000              1.0000000        
G   1
  1      0.5762000              1.0000000        
G   1
  1      0.2802000              1.0000000        
G   1
  1      0.1236000              1.0000000        
H   1
  1      0.5223000              1.0000000        
H   1
  1      0.2543000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Po
data:
POLONIUM
S   11
  1  24093.4000000              0.0000140        
  2   3632.1700000              0.0001030        
  3    822.3080000              0.0004690        
  4    227.4720000              0.0012100        
  5     38.3868000              0.0224960        
  6     23.9396000             -0.1768370        
  7     14.7926000              0.6262920        
  8      9.2393100             -0.5346900        
  9      5.5759400             -0.7302180        
 10      3.2541200              0.2305460        
 11      1.8347100              0.8404390        
S   11
  1  24093.4000000             -0.0000070        
  2   3632.1700000             -0.0000550        
  3    822.3080000             -0.0002430        
  4    227.4720000             -0.0006680        
  5     38.3868000             -0.0096130        
  6     23.9396000              0.0786800        
  7     14.7926000             -0.3009170        
  8      9.2393100              0.3021880        
  9      5.5759400              0.3263160        
 10      3.2541200             -0.1338620        
 11      1.8347100             -0.5836760        
S   1
  1      1.0106300              1.0000000        
S   1
  1      0.4702110              1.0000000        
S   1
  1      0.2606210              1.0000000        
S   1
  1      0.1321390              1.0000000        
S   1
  1      0.0631820              1.0000000        
S   1
  1      0.0252000              1.0000000        
P   8
  1    300.3270000              0.0000980        
  2     59.9384000              0.0007980        
  3     21.0811000             -0.0223260        
  4     13.1688000              0.1717270        
  5      8.2240900             -0.3464910        
  6      5.1369000             -0.1101690        
  7      2.6029200              0.4385830        
  8      1.4465300              0.5437050        
P   8
  1    300.3270000             -0.0000390        
  2     59.9384000             -0.0002510        
  3     21.0811000              0.0070940        
  4     13.1688000             -0.0603580        
  5      8.2240900              0.1344540        
  6      5.1369000              0.0228340        
  7      2.6029200             -0.1790820        
  8      1.4465300             -0.2575900        
P   1
  1      0.7783430              1.0000000        
P   1
  1      0.3785540              1.0000000        
P   1
  1      0.1850400              1.0000000        
P   1
  1      0.0884920              1.0000000        
P   1
  1      0.0412740              1.0000000        
P   1
  1      0.0178000              1.0000000        
D   8
  1    174.4440000              0.0000790        
  2     52.2233000              0.0005800        
  3     14.5970000              0.0100390        
  4      7.0593700             -0.0800950        
  5      4.3570700              0.0199620        
  6      2.7184400              0.2167420        
  7      1.6501100              0.3354280        
  8      0.9858520              0.3198530        
D   1
  1      0.5725360              1.0000000        
D   1
  1      0.3236310              1.0000000        
D   1
  1      0.1852220              1.0000000        
D   1
  1      0.0915000              1.0000000        
D   1
  1      0.0415000              1.0000000        
F   1
  1      0.5912000              1.0000000        
F   1
  1      0.3063000              1.0000000        
F   1
  1      0.1587000              1.0000000        
F   1
  1      0.0717000              1.0000000        
G   1
  1      0.5800000              1.0000000        
G   1
  1      0.2738000              1.0000000        
G   1
  1      0.1323000              1.0000000        
H   1
  1      0.5070000              1.0000000        
H   1
  1      0.2831000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: At
data:
ASTATINE
S   11
  1  26533.4000000              0.0000090        
  2   3957.8600000              0.0000710        
  3    892.4600000              0.0003240        
  4    245.3390000              0.0008230        
  5     39.2694000              0.0191060        
  6     24.4820000             -0.1706520        
  7     15.2914000              0.6242990        
  8      9.5451100             -0.5482790        
  9      5.7515200             -0.7499610        
 10      3.5158900              0.2444150        
 11      1.9380100              0.8604720        
S   11
  1  26533.4000000             -0.0000050        
  2   3957.8600000             -0.0000390        
  3    892.4600000             -0.0001700        
  4    245.3390000             -0.0004660        
  5     39.2694000             -0.0082220        
  6     24.4820000              0.0784400        
  7     15.2914000             -0.3122490        
  8      9.5451100              0.3244810        
  9      5.7515200              0.3473100        
 10      3.5158900             -0.1448050        
 11      1.9380100             -0.6300520        
S   1
  1      1.0751200              1.0000000        
S   1
  1      0.5125820              1.0000000        
S   1
  1      0.2799900              1.0000000        
S   1
  1      0.1424200              1.0000000        
S   1
  1      0.0682950              1.0000000        
S   1
  1      0.0269000              1.0000000        
P   8
  1    328.9750000              0.0001180        
  2     69.3728000              0.0008030        
  3     21.6799000             -0.0203320        
  4     13.5451000              0.1681760        
  5      8.4637200             -0.3521700        
  6      5.2876300             -0.1046990        
  7      2.7272200              0.4428480        
  8      1.5366300              0.5407520        
P   8
  1    328.9750000             -0.0000510        
  2     69.3728000             -0.0002800        
  3     21.6799000              0.0067640        
  4     13.5451000             -0.0631320        
  5      8.4637200              0.1472460        
  6      5.2876300              0.0201990        
  7      2.7272200             -0.1946720        
  8      1.5366300             -0.2793810        
P   1
  1      0.8423330              1.0000000        
P   1
  1      0.4220430              1.0000000        
P   1
  1      0.2090570              1.0000000        
P   1
  1      0.1006150              1.0000000        
P   1
  1      0.0469200              1.0000000        
P   1
  1      0.0205000              1.0000000        
D   8
  1    180.1330000              0.0001010        
  2     53.4782000              0.0007500        
  3     15.4735000              0.0100230        
  4      7.1490000             -0.0856100        
  5      4.4604700              0.0377150        
  6      2.7588100              0.2315430        
  7      1.7221100              0.3222190        
  8      1.0707400              0.3038550        
D   1
  1      0.6403180              1.0000000        
D   1
  1      0.3662910              1.0000000        
D   1
  1      0.2051390              1.0000000        
D   1
  1      0.1017000              1.0000000        
D   1
  1      0.0510000              1.0000000        
F   1
  1      0.6331000              1.0000000        
F   1
  1      0.3439000              1.0000000        
F   1
  1      0.1868000              1.0000000        
F   1
  1      0.0978000              1.0000000        
G   1
  1      0.6184000              1.0000000        
G   1
  1      0.2983000              1.0000000        
G   1
  1      0.1525000              1.0000000        
H   1
  1      0.5419000              1.0000000        
H   1
  1      0.3298000              1.0000000        


name: aug-cc-pV5Z-PP
description: V5ZPD Valence Quintuple Zeta + Polarization on All Atoms
elt: Rn
data:
RADON
S   11
  1  30127.1000000              0.0000160        
  2   4530.1400000              0.0001220        
  3   1029.7900000              0.0005590        
  4    286.3910000              0.0014970        
  5     65.2693000              0.0045550        
  6     25.2287000             -0.1090850        
  7     15.7590000              0.5170670        
  8      9.8436800             -0.4760410        
  9      6.0108400             -0.7241700        
 10      3.1828000              0.3018500        
 11      1.9239900              0.8301260        
S   11
  1  30127.1000000             -0.0000090        
  2   4530.1400000             -0.0000720        
  3   1029.7900000             -0.0003220        
  4    286.3910000             -0.0009080        
  5     65.2693000             -0.0022830        
  6     25.2287000              0.0539020        
  7     15.7590000             -0.2771330        
  8      9.8436800              0.3097650        
  9      6.0108400              0.3468490        
 10      3.1828000             -0.2081180        
 11      1.9239900             -0.6536280        
S   1
  1      1.0941600              1.0000000        
S   1
  1      0.5385400              1.0000000        
S   1
  1      0.2864980              1.0000000        
S   1
  1      0.1474430              1.0000000        
S   1
  1      0.0720380              1.0000000        
S   1
  1      0.0286000              1.0000000        
P   8
  1    355.9650000              0.0001420        
  2     77.6233000              0.0008820        
  3     22.2008000             -0.0189140        
  4     13.8732000              0.1684280        
  5      8.6706300             -0.3682600        
  6      5.4171300             -0.0886670        
  7      2.8000500              0.4718560        
  8      1.5780700              0.5371120        
P   8
  1    355.9650000             -0.0000640        
  2     77.6233000             -0.0003340        
  3     22.2008000              0.0063940        
  4     13.8732000             -0.0661310        
  5      8.6706300              0.1624850        
  6      5.4171300              0.0119280        
  7      2.8000500             -0.2198970        
  8      1.5780700             -0.2998260        
P   1
  1      0.8689520              1.0000000        
P   1
  1      0.4447990              1.0000000        
P   1
  1      0.2228420              1.0000000        
P   1
  1      0.1088390              1.0000000        
P   1
  1      0.0514910              1.0000000        
P   1
  1      0.0232000              1.0000000        
D   8
  1    180.8880000              0.0001330        
  2     53.8241000              0.0009720        
  3     16.1471000              0.0106480        
  4      7.4060200             -0.0853360        
  5      4.6258700              0.0400760        
  6      2.8680400              0.2559490        
  7      1.7145200              0.3777430        
  8      1.0040200              0.3027090        
D   1
  1      0.5918640              1.0000000        
D   1
  1      0.3663050              1.0000000        
D   1
  1      0.2265360              1.0000000        
D   1
  1      0.1222000              1.0000000        
D   1
  1      0.0605000              1.0000000        
F   1
  1      0.6669000              1.0000000        
F   1
  1      0.3861000              1.0000000        
F   1
  1      0.2235000              1.0000000        
F   1
  1      0.1239000              1.0000000        
G   1
  1      0.6682000              1.0000000        
G   1
  1      0.3280000              1.0000000        
G   1
  1      0.1727000              1.0000000        
H   1
  1      0.5901000              1.0000000        
H   1
  1      0.3765000              1.0000000        


