mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-30 15:15:38 +01:00
1765 lines
58 KiB
Plaintext
1765 lines
58 KiB
Plaintext
HYDROGEN
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S 5
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1 0.307967E+04 0.815918E-03
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2 0.461515E+03 0.645792E-02
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3 0.105058E+03 0.330621E-01
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4 0.297641E+02 0.144666E+00
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5 0.971826E+01 0.500000E+00
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S 1
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1 0.351795E+01 1.0000000
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S 1
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|
1 0.137696E+01 1.0000000
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S 1
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1 0.568306E+00 1.0000000
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S 1
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|
1 0.243407E+00 1.0000000
|
|
S 1
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|
1 0.105053E+00 1.0000000
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|
S 1
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|
1 0.441983E-01 1.0000000
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S 1
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1 0.171310E-01 1.0000000
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P 2
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1 0.180000E+03 0.352640E-01
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2 0.300000E+02 0.500000E+00
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P 1
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|
1 0.660000E+01 1.0000000
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|
P 1
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|
1 0.210000E+01 1.0000000
|
|
P 1
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|
1 0.950000E+00 1.0000000
|
|
P 1
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|
1 0.450000E+00 1.0000000
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|
P 1
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|
1 0.150000E+00 1.0000000
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|
P 1
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|
1 0.513930E-01 1.0000000
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D 1
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|
1 0.210000E+01 1.0000000
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|
D 1
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|
1 0.700000E+00 1.0000000
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D 1
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|
1 0.300000E+00 1.0000000
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D 1
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|
1 0.685240E-01 1.0000000
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F 1
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|
1 0.250000E+01 1.0000000
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|
F 1
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|
1 0.900000E+00 1.0000000
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|
F 1
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|
1 0.856560E-01 1.0000000
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G 1
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1 0.320000E+01 1.0000000
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G 1
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1 0.102790E+00 1.0000000
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HELIUM
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S 5
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1 0.878017E+04 0.826480E-03
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2 0.131561E+04 0.646060E-02
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3 0.299460E+03 0.336171E-01
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4 0.848329E+02 0.142766E+00
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5 0.276909E+02 0.500000E+00
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S 1
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1 0.100079E+02 1.0000000
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|
S 1
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|
1 0.389242E+01 1.0000000
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|
S 1
|
|
1 0.158195E+01 1.0000000
|
|
S 1
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1 0.656977E+00 1.0000000
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|
S 1
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|
1 0.264585E+00 1.0000000
|
|
S 1
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|
1 0.105847E+00 1.0000000
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S 1
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1 0.392000E-01 1.0000000
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P 2
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1 0.243000E+03 0.303650E-01
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2 0.405000E+02 0.500000E+00
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P 1
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1 0.890000E+01 1.0000000
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P 1
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|
1 0.285000E+01 1.0000000
|
|
P 1
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|
1 0.130000E+01 1.0000000
|
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P 1
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|
1 0.600000E+00 1.0000000
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P 1
|
|
1 0.200000E+00 1.0000000
|
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P 1
|
|
1 0.117600E+00 1.0000000
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D 1
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1 0.370000E+01 1.0000000
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D 1
|
|
1 0.120000E+01 1.0000000
|
|
D 1
|
|
1 0.500000E+00 1.0000000
|
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D 1
|
|
1 0.156800E+00 1.0000000
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F 1
|
|
1 0.410000E+01 1.0000000
|
|
F 1
|
|
1 0.150000E+01 1.0000000
|
|
F 1
|
|
1 0.196000E+00 1.0000000
|
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G 1
|
|
1 0.465000E+01 1.0000000
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G 1
|
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1 0.235200E+00 1.0000000
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|
|
LITHIUM
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S 12
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1 0.706806E+05 0.109522E-04
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2 0.135936E+05 0.661920E-04
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3 0.310040E+04 0.387255E-03
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4 0.826461E+03 0.177974E-02
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5 0.253761E+03 0.699231E-02
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6 0.884509E+02 0.225431E-01
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7 0.344927E+02 0.635165E-01
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8 0.148312E+02 0.141576E+00
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9 0.692988E+01 0.262097E+00
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10 0.346776E+01 0.433690E+00
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11 0.183156E+01 0.341150E+00
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12 0.100628E+01 0.500000E+00
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S 10
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1 0.826461E+03 -0.129462E-04
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2 0.253761E+03 0.111200E-04
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3 0.884509E+02 -0.317996E-03
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4 0.344927E+02 -0.364513E-03
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5 0.148312E+02 -0.511861E-02
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6 0.692988E+01 -0.207762E-01
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7 0.346776E+01 -0.166561E-01
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8 0.183156E+01 -0.234089E+00
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9 0.100628E+01 0.652938E-01
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10 0.566783E+00 -0.500000E+00
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S 1
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1 0.322545E+00 1.0000000
|
|
S 1
|
|
1 0.182774E+00 1.0000000
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|
S 1
|
|
1 0.101640E+00 1.0000000
|
|
S 1
|
|
1 0.546659E-01 1.0000000
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|
S 1
|
|
1 0.280249E-01 1.0000000
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|
S 1
|
|
1 0.134966E-01 1.0000000
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S 1
|
|
1 0.593000E-02 1.0000000
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P 2
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1 0.185250E+03 0.324194E-01
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2 0.285000E+02 0.500000E+00
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|
P 1
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|
1 0.664000E+01 1.0000000
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|
P 1
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|
1 0.192000E+01 1.0000000
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|
P 1
|
|
1 0.770000E+00 1.0000000
|
|
P 1
|
|
1 0.320000E+00 1.0000000
|
|
P 1
|
|
1 0.150000E+00 1.0000000
|
|
P 1
|
|
1 0.660000E-01 1.0000000
|
|
P 1
|
|
1 0.250000E-01 1.0000000
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|
P 1
|
|
1 0.830000E-02 1.0000000
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|
D 1
|
|
1 0.175000E+01 1.0000000
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|
D 1
|
|
1 0.300000E+00 1.0000000
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|
D 1
|
|
1 0.110000E+00 1.0000000
|
|
D 1
|
|
1 0.237200E-01 1.0000000
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|
F 1
|
|
1 0.500000E+00 1.0000000
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|
F 1
|
|
1 0.200000E+00 1.0000000
|
|
F 1
|
|
1 0.296500E-01 1.0000000
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|
G 1
|
|
1 0.550000E+00 1.0000000
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|
G 1
|
|
1 0.355800E-01 1.0000000
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|
|
|
BERYLLIUM
|
|
S 12
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|
1 0.139328E+06 0.100003E-04
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2 0.267740E+05 0.609833E-04
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3 0.611199E+04 0.352245E-03
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4 0.163294E+04 0.163262E-02
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5 0.503034E+03 0.628769E-02
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6 0.176031E+03 0.206093E-01
|
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7 0.689394E+02 0.563170E-01
|
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8 0.297684E+02 0.134065E+00
|
|
9 0.139629E+02 0.232634E+00
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|
10 0.700895E+01 0.436218E+00
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11 0.370944E+01 0.374827E+00
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12 0.203923E+01 0.500000E+00
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S 10
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1 0.163294E+04 0.247240E-05
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|
2 0.503034E+03 -0.179541E-04
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|
3 0.176031E+03 -0.287965E-04
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4 0.689394E+02 -0.101361E-02
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5 0.297684E+02 -0.184772E-02
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|
6 0.139629E+02 -0.252092E-01
|
|
7 0.700895E+01 -0.233736E-01
|
|
8 0.370944E+01 -0.198679E+00
|
|
9 0.203923E+01 -0.544838E-01
|
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10 0.114723E+01 -0.500000E+00
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|
S 1
|
|
1 0.650699E+00 1.0000000
|
|
S 1
|
|
1 0.366591E+00 1.0000000
|
|
S 1
|
|
1 0.202106E+00 1.0000000
|
|
S 1
|
|
1 0.107422E+00 1.0000000
|
|
S 1
|
|
1 0.542308E-01 1.0000000
|
|
S 1
|
|
1 0.256191E-01 1.0000000
|
|
S 1
|
|
1 0.110600E-01 1.0000000
|
|
P 2
|
|
1 0.297050E+03 0.389544E-01
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|
2 0.457000E+02 0.500000E+00
|
|
P 1
|
|
1 0.106000E+02 1.0000000
|
|
P 1
|
|
1 0.308000E+01 1.0000000
|
|
P 1
|
|
1 0.123000E+01 1.0000000
|
|
P 1
|
|
1 0.510000E+00 1.0000000
|
|
P 1
|
|
1 0.230000E+00 1.0000000
|
|
P 1
|
|
1 0.106000E+00 1.0000000
|
|
P 1
|
|
1 0.400000E-01 1.0000000
|
|
P 1
|
|
1 0.133300E-01 1.0000000
|
|
D 1
|
|
1 0.335000E+01 1.0000000
|
|
D 1
|
|
1 0.570000E+00 1.0000000
|
|
D 1
|
|
1 0.210000E+00 1.0000000
|
|
D 1
|
|
1 0.442400E-01 1.0000000
|
|
F 1
|
|
1 0.750000E+00 1.0000000
|
|
F 1
|
|
1 0.300000E+00 1.0000000
|
|
F 1
|
|
1 0.553000E-01 1.0000000
|
|
G 1
|
|
1 0.800000E+00 1.0000000
|
|
G 1
|
|
1 0.663600E-01 1.0000000
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|
|
|
BORON
|
|
S 11
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|
1 0.742499E+06 0.743340E-05
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|
2 0.110930E+06 0.581523E-04
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|
3 0.252031E+05 0.306012E-03
|
|
4 0.712926E+04 0.129665E-02
|
|
5 0.232470E+04 0.470611E-02
|
|
6 0.839052E+03 0.153206E-01
|
|
7 0.327789E+03 0.446104E-01
|
|
8 0.136722E+03 0.117341E+00
|
|
9 0.602936E+02 0.262799E+00
|
|
10 0.277313E+02 0.500000E+00
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|
11 0.129925E+02 0.337436E+00
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S 9
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|
1 0.712926E+04 0.400170E-05
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|
2 0.232470E+04 -0.102134E-04
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3 0.839052E+03 0.302291E-04
|
|
4 0.327789E+03 -0.407818E-03
|
|
5 0.136722E+03 -0.112517E-02
|
|
6 0.602936E+02 -0.122469E-01
|
|
7 0.277313E+02 -0.386318E-01
|
|
8 0.129925E+02 -0.262635E+00
|
|
9 0.625514E+01 -0.500000E+00
|
|
S 1
|
|
1 0.314720E+01 1.0000000
|
|
S 1
|
|
1 0.156268E+01 1.0000000
|
|
S 1
|
|
1 0.740663E+00 1.0000000
|
|
S 1
|
|
1 0.312902E+00 1.0000000
|
|
S 1
|
|
1 0.131424E+00 1.0000000
|
|
S 1
|
|
1 0.547071E-01 1.0000000
|
|
S 1
|
|
1 0.210300E-01 1.0000000
|
|
P 3
|
|
1 0.148096E+04 0.256754E-02
|
|
2 0.227840E+03 0.679494E-01
|
|
3 0.539221E+02 0.500000E+00
|
|
P 1
|
|
1 0.170481E+02 1.0000000
|
|
P 1
|
|
1 0.600196E+01 1.0000000
|
|
P 1
|
|
1 0.260659E+01 1.0000000
|
|
P 1
|
|
1 0.119622E+01 1.0000000
|
|
P 1
|
|
1 0.569666E+00 1.0000000
|
|
P 1
|
|
1 0.273773E+00 1.0000000
|
|
P 1
|
|
1 0.128802E+00 1.0000000
|
|
P 1
|
|
1 0.596530E-01 1.0000000
|
|
P 1
|
|
1 0.261899E-01 1.0000000
|
|
P 1
|
|
1 0.105700E-01 1.0000000
|
|
D 1
|
|
1 0.530000E+01 1.0000000
|
|
D 1
|
|
1 0.190000E+01 1.0000000
|
|
D 1
|
|
1 0.750000E+00 1.0000000
|
|
D 1
|
|
1 0.350000E+00 1.0000000
|
|
D 1
|
|
1 0.160000E+00 1.0000000
|
|
D 1
|
|
1 0.600000E-01 1.0000000
|
|
D 1
|
|
1 0.300000E-01 1.0000000
|
|
F 1
|
|
1 0.190000E+01 1.0000000
|
|
F 1
|
|
1 0.800000E+00 1.0000000
|
|
F 1
|
|
1 0.350000E+00 1.0000000
|
|
F 1
|
|
1 0.422800E-01 1.0000000
|
|
G 1
|
|
1 0.165000E+01 1.0000000
|
|
G 1
|
|
1 0.700000E+00 1.0000000
|
|
G 1
|
|
1 0.528500E-01 1.0000000
|
|
H 1
|
|
1 0.175000E+01 1.0000000
|
|
H 1
|
|
1 0.634100E-01 1.0000000
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|
|
|
CARBON
|
|
S 11
|
|
1 0.527777E+06 0.687310E-05
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|
2 0.791055E+05 0.528798E-04
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|
3 0.180064E+05 0.282026E-03
|
|
4 0.510083E+04 0.116841E-02
|
|
5 0.166465E+04 0.434260E-02
|
|
6 0.601664E+03 0.135997E-01
|
|
7 0.235397E+03 0.408198E-01
|
|
8 0.982634E+02 0.991864E-01
|
|
9 0.432689E+02 0.232556E+00
|
|
10 0.198583E+02 0.317606E+00
|
|
11 0.956918E+01 0.500000E+00
|
|
S 10
|
|
1 0.180064E+05 0.137400E-05
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|
2 0.510083E+04 -0.196589E-04
|
|
3 0.166465E+04 0.366466E-04
|
|
4 0.601664E+03 -0.394561E-03
|
|
5 0.235397E+03 0.151784E-03
|
|
6 0.982634E+02 -0.767721E-02
|
|
7 0.432689E+02 -0.917746E-02
|
|
8 0.198583E+02 -0.134116E+00
|
|
9 0.956918E+01 -0.170122E+00
|
|
10 0.493732E+01 -0.500000E+00
|
|
S 1
|
|
1 0.266874E+01 1.0000000
|
|
S 1
|
|
1 0.146739E+01 1.0000000
|
|
S 1
|
|
1 0.638634E+00 1.0000000
|
|
S 1
|
|
1 0.302399E+00 1.0000000
|
|
S 1
|
|
1 0.141161E+00 1.0000000
|
|
S 1
|
|
1 0.637490E-01 1.0000000
|
|
S 1
|
|
1 0.264520E-01 1.0000000
|
|
P 3
|
|
1 0.248433E+04 0.265449E-02
|
|
2 0.382205E+03 0.577005E-01
|
|
3 0.904894E+02 0.500000E+00
|
|
P 1
|
|
1 0.288706E+02 1.0000000
|
|
P 1
|
|
1 0.103854E+02 1.0000000
|
|
P 1
|
|
1 0.449718E+01 1.0000000
|
|
P 1
|
|
1 0.202740E+01 1.0000000
|
|
P 1
|
|
1 0.951542E+00 1.0000000
|
|
P 1
|
|
1 0.448145E+00 1.0000000
|
|
P 1
|
|
1 0.207211E+00 1.0000000
|
|
P 1
|
|
1 0.948698E-01 1.0000000
|
|
P 1
|
|
1 0.408427E-01 1.0000000
|
|
P 1
|
|
1 0.162070E-01 1.0000000
|
|
D 1
|
|
1 0.840000E+01 1.0000000
|
|
D 1
|
|
1 0.300000E+01 1.0000000
|
|
D 1
|
|
1 0.120000E+01 1.0000000
|
|
D 1
|
|
1 0.550000E+00 1.0000000
|
|
D 1
|
|
1 0.250000E+00 1.0000000
|
|
D 1
|
|
1 0.100000E+00 1.0000000
|
|
D 1
|
|
1 0.486220E-01 1.0000000
|
|
F 1
|
|
1 0.210000E+01 1.0000000
|
|
F 1
|
|
1 0.900000E+00 1.0000000
|
|
F 1
|
|
1 0.400000E+00 1.0000000
|
|
F 1
|
|
1 0.648300E-01 1.0000000
|
|
G 1
|
|
1 0.210000E+01 1.0000000
|
|
G 1
|
|
1 0.900000E+00 1.0000000
|
|
G 1
|
|
1 0.810370E-01 1.0000000
|
|
H 1
|
|
1 0.185000E+01 1.0000000
|
|
H 1
|
|
1 0.972440E-01 1.0000000
|
|
|
|
NITROGEN
|
|
S 11
|
|
1 0.894758E+06 0.709450E-05
|
|
2 0.134825E+06 0.535954E-04
|
|
3 0.308080E+05 0.289265E-03
|
|
4 0.875150E+04 0.116929E-02
|
|
5 0.286197E+04 0.445777E-02
|
|
6 0.103532E+04 0.135271E-01
|
|
7 0.404732E+03 0.425513E-01
|
|
8 0.168327E+03 0.100367E+00
|
|
9 0.736950E+02 0.255698E+00
|
|
10 0.337526E+02 0.341081E+00
|
|
11 0.161568E+02 0.500000E+00
|
|
S 10
|
|
1 0.308080E+05 0.143110E-05
|
|
2 0.875150E+04 -0.193884E-04
|
|
3 0.286197E+04 0.395604E-04
|
|
4 0.103532E+04 -0.365942E-03
|
|
5 0.404732E+03 0.294561E-03
|
|
6 0.168327E+03 -0.637993E-02
|
|
7 0.736950E+02 -0.678593E-02
|
|
8 0.337526E+02 -0.100717E+00
|
|
9 0.161568E+02 -0.208099E+00
|
|
10 0.796876E+01 -0.500000E+00
|
|
S 1
|
|
1 0.395209E+01 1.0000000
|
|
S 1
|
|
1 0.194542E+01 1.0000000
|
|
S 1
|
|
1 0.929289E+00 1.0000000
|
|
S 1
|
|
1 0.440853E+00 1.0000000
|
|
S 1
|
|
1 0.203400E+00 1.0000000
|
|
S 1
|
|
1 0.912259E-01 1.0000000
|
|
S 1
|
|
1 0.375420E-01 1.0000000
|
|
P 3
|
|
1 0.368047E+04 0.266782E-02
|
|
2 0.566226E+03 0.559258E-01
|
|
3 0.134104E+03 0.500000E+00
|
|
P 1
|
|
1 0.430132E+02 1.0000000
|
|
P 1
|
|
1 0.156118E+02 1.0000000
|
|
P 1
|
|
1 0.664271E+01 1.0000000
|
|
P 1
|
|
1 0.297484E+01 1.0000000
|
|
P 1
|
|
1 0.138849E+01 1.0000000
|
|
P 1
|
|
1 0.650119E+00 1.0000000
|
|
P 1
|
|
1 0.300281E+00 1.0000000
|
|
P 1
|
|
1 0.136198E+00 1.0000000
|
|
P 1
|
|
1 0.578450E-01 1.0000000
|
|
P 1
|
|
1 0.226840E-01 1.0000000
|
|
D 1
|
|
1 0.128000E+02 1.0000000
|
|
D 1
|
|
1 0.440000E+01 1.0000000
|
|
D 1
|
|
1 0.175000E+01 1.0000000
|
|
D 1
|
|
1 0.800000E+00 1.0000000
|
|
D 1
|
|
1 0.370000E+00 1.0000000
|
|
D 1
|
|
1 0.150000E+00 1.0000000
|
|
D 1
|
|
1 0.680530E-01 1.0000000
|
|
F 1
|
|
1 0.230000E+01 1.0000000
|
|
F 1
|
|
1 0.100000E+01 1.0000000
|
|
F 1
|
|
1 0.450000E+00 1.0000000
|
|
F 1
|
|
1 0.907370E-01 1.0000000
|
|
G 1
|
|
1 0.255000E+01 1.0000000
|
|
G 1
|
|
1 0.110000E+01 1.0000000
|
|
G 1
|
|
1 0.113420E+00 1.0000000
|
|
H 1
|
|
1 0.195000E+01 1.0000000
|
|
H 1
|
|
1 0.136110E+00 1.0000000
|
|
|
|
OXYGEN
|
|
S 11
|
|
1 0.125972E+07 0.657930E-05
|
|
2 0.190112E+06 0.496032E-04
|
|
3 0.434490E+05 0.267987E-03
|
|
4 0.123423E+05 0.108233E-02
|
|
5 0.403498E+04 0.413537E-02
|
|
6 0.145968E+04 0.125297E-01
|
|
7 0.570656E+03 0.395726E-01
|
|
8 0.237504E+03 0.934206E-01
|
|
9 0.104112E+03 0.240709E+00
|
|
10 0.475812E+02 0.339152E+00
|
|
11 0.225461E+02 0.500000E+00
|
|
S 10
|
|
1 0.434490E+05 0.130480E-05
|
|
2 0.123423E+05 -0.175051E-04
|
|
3 0.403498E+04 0.361343E-04
|
|
4 0.145968E+04 -0.329021E-03
|
|
5 0.570656E+03 0.280282E-03
|
|
6 0.237504E+03 -0.566443E-02
|
|
7 0.104112E+03 -0.607690E-02
|
|
8 0.475812E+02 -0.899417E-01
|
|
9 0.225461E+02 -0.201724E+00
|
|
10 0.110926E+02 -0.500000E+00
|
|
S 1
|
|
1 0.554090E+01 1.0000000
|
|
S 1
|
|
1 0.277940E+01 1.0000000
|
|
S 1
|
|
1 0.128368E+01 1.0000000
|
|
S 1
|
|
1 0.596489E+00 1.0000000
|
|
S 1
|
|
1 0.270565E+00 1.0000000
|
|
S 1
|
|
1 0.120280E+00 1.0000000
|
|
S 1
|
|
1 0.490940E-01 1.0000000
|
|
P 3
|
|
1 0.460594E+04 0.266776E-02
|
|
2 0.708607E+03 0.566738E-01
|
|
3 0.167862E+03 0.500000E+00
|
|
P 1
|
|
1 0.539666E+02 1.0000000
|
|
P 1
|
|
1 0.198074E+02 1.0000000
|
|
P 1
|
|
1 0.838324E+01 1.0000000
|
|
P 1
|
|
1 0.374473E+01 1.0000000
|
|
P 1
|
|
1 0.173216E+01 1.0000000
|
|
P 1
|
|
1 0.799773E+00 1.0000000
|
|
P 1
|
|
1 0.363229E+00 1.0000000
|
|
P 1
|
|
1 0.159633E+00 1.0000000
|
|
P 1
|
|
1 0.656642E-01 1.0000000
|
|
P 1
|
|
1 0.249670E-01 1.0000000
|
|
D 1
|
|
1 0.182000E+02 1.0000000
|
|
D 1
|
|
1 0.600000E+01 1.0000000
|
|
D 1
|
|
1 0.240000E+01 1.0000000
|
|
D 1
|
|
1 0.110000E+01 1.0000000
|
|
D 1
|
|
1 0.500000E+00 1.0000000
|
|
D 1
|
|
1 0.200000E+00 1.0000000
|
|
D 1
|
|
1 0.749020E-01 1.0000000
|
|
F 1
|
|
1 0.260000E+01 1.0000000
|
|
F 1
|
|
1 0.115000E+01 1.0000000
|
|
F 1
|
|
1 0.500000E+00 1.0000000
|
|
F 1
|
|
1 0.998700E-01 1.0000000
|
|
G 1
|
|
1 0.305000E+01 1.0000000
|
|
G 1
|
|
1 0.130000E+01 1.0000000
|
|
G 1
|
|
1 0.124840E+00 1.0000000
|
|
H 1
|
|
1 0.205000E+01 1.0000000
|
|
H 1
|
|
1 0.149800E+00 1.0000000
|
|
|
|
FLUORINE
|
|
S 11
|
|
1 0.185602E+07 0.619890E-05
|
|
2 0.280068E+06 0.467433E-04
|
|
3 0.640777E+05 0.251979E-03
|
|
4 0.182157E+05 0.101800E-02
|
|
5 0.595779E+04 0.388543E-02
|
|
6 0.215503E+04 0.118150E-01
|
|
7 0.841957E+03 0.373688E-01
|
|
8 0.349819E+03 0.896978E-01
|
|
9 0.152788E+03 0.233541E+00
|
|
10 0.693672E+02 0.356294E+00
|
|
11 0.325737E+02 0.500000E+00
|
|
S 10
|
|
1 0.640777E+05 0.102030E-05
|
|
2 0.182157E+05 -0.129008E-04
|
|
3 0.595779E+04 0.273241E-04
|
|
4 0.215503E+04 -0.244894E-03
|
|
5 0.841957E+03 0.187034E-03
|
|
6 0.349819E+03 -0.431369E-02
|
|
7 0.152788E+03 -0.605935E-02
|
|
8 0.693672E+02 -0.727119E-01
|
|
9 0.325737E+02 -0.198500E+00
|
|
10 0.158890E+02 -0.500000E+00
|
|
S 1
|
|
1 0.786514E+01 1.0000000
|
|
S 1
|
|
1 0.391988E+01 1.0000000
|
|
S 1
|
|
1 0.178612E+01 1.0000000
|
|
S 1
|
|
1 0.820653E+00 1.0000000
|
|
S 1
|
|
1 0.369371E+00 1.0000000
|
|
S 1
|
|
1 0.161976E+00 1.0000000
|
|
S 1
|
|
1 0.653130E-01 1.0000000
|
|
P 3
|
|
1 0.596629E+04 0.266674E-02
|
|
2 0.917891E+03 0.562885E-01
|
|
3 0.217410E+03 0.500000E+00
|
|
P 1
|
|
1 0.699386E+02 1.0000000
|
|
P 1
|
|
1 0.258308E+02 1.0000000
|
|
P 1
|
|
1 0.109692E+02 1.0000000
|
|
P 1
|
|
1 0.492146E+01 1.0000000
|
|
P 1
|
|
1 0.228390E+01 1.0000000
|
|
P 1
|
|
1 0.105789E+01 1.0000000
|
|
P 1
|
|
1 0.481348E+00 1.0000000
|
|
P 1
|
|
1 0.209021E+00 1.0000000
|
|
P 1
|
|
1 0.855558E-01 1.0000000
|
|
P 1
|
|
1 0.324080E-01 1.0000000
|
|
D 1
|
|
1 0.255000E+02 1.0000000
|
|
D 1
|
|
1 0.800000E+01 1.0000000
|
|
D 1
|
|
1 0.320000E+01 1.0000000
|
|
D 1
|
|
1 0.145000E+01 1.0000000
|
|
D 1
|
|
1 0.650000E+00 1.0000000
|
|
D 1
|
|
1 0.250000E+00 1.0000000
|
|
D 1
|
|
1 0.972230E-01 1.0000000
|
|
F 1
|
|
1 0.310000E+01 1.0000000
|
|
F 1
|
|
1 0.135000E+01 1.0000000
|
|
F 1
|
|
1 0.600000E+00 1.0000000
|
|
F 1
|
|
1 0.129630E+00 1.0000000
|
|
G 1
|
|
1 0.360000E+01 1.0000000
|
|
G 1
|
|
1 0.155000E+01 1.0000000
|
|
G 1
|
|
1 0.162040E+00 1.0000000
|
|
H 1
|
|
1 0.215000E+01 1.0000000
|
|
H 1
|
|
1 0.194450E+00 1.0000000
|
|
|
|
NEON
|
|
S 11
|
|
1 0.252258E+07 0.538210E-05
|
|
2 0.377056E+06 0.411583E-04
|
|
3 0.857126E+05 0.222732E-03
|
|
4 0.242614E+05 0.907973E-03
|
|
5 0.791171E+04 0.345805E-02
|
|
6 0.285550E+04 0.106203E-01
|
|
7 0.111359E+04 0.334450E-01
|
|
8 0.461889E+03 0.816687E-01
|
|
9 0.201352E+03 0.212483E+00
|
|
10 0.911985E+02 0.339898E+00
|
|
11 0.426796E+02 0.500000E+00
|
|
S 9
|
|
1 0.242614E+05 -0.108674E-04
|
|
2 0.791171E+04 0.207769E-04
|
|
3 0.285550E+04 -0.206286E-03
|
|
4 0.111359E+04 0.127743E-03
|
|
5 0.461889E+03 -0.367767E-02
|
|
6 0.201352E+03 -0.564374E-02
|
|
7 0.911985E+02 -0.645030E-01
|
|
8 0.426796E+02 -0.178680E+00
|
|
9 0.207422E+02 -0.500000E+00
|
|
S 1
|
|
1 0.102487E+02 1.0000000
|
|
S 1
|
|
1 0.510128E+01 1.0000000
|
|
S 1
|
|
1 0.230307E+01 1.0000000
|
|
S 1
|
|
1 0.105306E+01 1.0000000
|
|
S 1
|
|
1 0.472224E+00 1.0000000
|
|
S 1
|
|
1 0.204663E+00 1.0000000
|
|
S 1
|
|
1 0.816400E-01 1.0000000
|
|
P 3
|
|
1 0.760436E+04 0.266073E-02
|
|
2 0.116990E+04 0.564776E-01
|
|
3 0.277106E+03 0.500000E+00
|
|
P 1
|
|
1 0.892636E+02 1.0000000
|
|
P 1
|
|
1 0.331003E+02 1.0000000
|
|
P 1
|
|
1 0.140312E+02 1.0000000
|
|
P 1
|
|
1 0.629854E+01 1.0000000
|
|
P 1
|
|
1 0.292341E+01 1.0000000
|
|
P 1
|
|
1 0.135367E+01 1.0000000
|
|
P 1
|
|
1 0.613615E+00 1.0000000
|
|
P 1
|
|
1 0.263617E+00 1.0000000
|
|
P 1
|
|
1 0.107546E+00 1.0000000
|
|
P 1
|
|
1 0.405700E-01 1.0000000
|
|
D 1
|
|
1 0.320000E+02 1.0000000
|
|
D 1
|
|
1 0.101000E+02 1.0000000
|
|
D 1
|
|
1 0.400000E+01 1.0000000
|
|
D 1
|
|
1 0.185000E+01 1.0000000
|
|
D 1
|
|
1 0.800000E+00 1.0000000
|
|
D 1
|
|
1 0.300000E+00 1.0000000
|
|
D 1
|
|
1 0.127100E+00 1.0000000
|
|
F 1
|
|
1 0.360000E+01 1.0000000
|
|
F 1
|
|
1 0.155000E+01 1.0000000
|
|
F 1
|
|
1 0.700000E+00 1.0000000
|
|
F 1
|
|
1 0.162300E+00 1.0000000
|
|
G 1
|
|
1 0.420000E+01 1.0000000
|
|
G 1
|
|
1 0.180000E+01 1.0000000
|
|
G 1
|
|
1 0.202800E+00 1.0000000
|
|
H 1
|
|
1 0.225000E+01 1.0000000
|
|
H 1
|
|
1 0.243400E+00 1.0000000
|
|
|
|
SODIUM
|
|
S 12
|
|
1 0.191871E+07 0.186930E-05
|
|
2 0.287270E+06 0.150657E-04
|
|
3 0.653823E+05 0.754183E-04
|
|
4 0.185232E+05 0.339949E-03
|
|
5 0.604538E+04 0.113989E-02
|
|
6 0.218424E+04 0.410188E-02
|
|
7 0.853112E+03 0.107456E-01
|
|
8 0.354686E+03 0.337222E-01
|
|
9 0.155332E+03 0.674193E-01
|
|
10 0.712335E+02 0.183664E+00
|
|
11 0.338349E+02 0.221584E+00
|
|
12 0.163486E+02 0.500000E+00
|
|
S 11
|
|
1 0.653823E+05 0.156700E-05
|
|
2 0.185232E+05 -0.267163E-04
|
|
3 0.604538E+04 0.525720E-04
|
|
4 0.218424E+04 -0.454209E-03
|
|
5 0.853112E+03 0.708313E-03
|
|
6 0.354686E+03 -0.608965E-02
|
|
7 0.155332E+03 0.329551E-02
|
|
8 0.712335E+02 -0.750026E-01
|
|
9 0.338349E+02 -0.151686E-01
|
|
10 0.163486E+02 -0.500000E+00
|
|
11 0.800817E+01 0.175853E+00
|
|
S 10
|
|
1 0.604538E+04 0.224520E-05
|
|
2 0.218424E+04 0.244497E-04
|
|
3 0.853112E+03 0.167836E-03
|
|
4 0.354686E+03 0.120081E-02
|
|
5 0.155332E+03 0.559960E-02
|
|
6 0.712335E+02 0.311447E-01
|
|
7 0.338349E+02 0.740389E-01
|
|
8 0.163486E+02 0.231230E+00
|
|
9 0.800817E+01 0.135101E+00
|
|
10 0.367131E+01 -0.500000E+00
|
|
S 1
|
|
1 0.171177E+01 1.0000000
|
|
S 1
|
|
1 0.791475E+00 1.0000000
|
|
S 1
|
|
1 0.354795E+00 1.0000000
|
|
S 1
|
|
1 0.906639E-01 1.0000000
|
|
S 1
|
|
1 0.443125E-01 1.0000000
|
|
S 1
|
|
1 0.219481E-01 1.0000000
|
|
S 1
|
|
1 0.108210E-01 1.0000000
|
|
S 1
|
|
1 0.485700E-02 1.0000000
|
|
P 6
|
|
1 0.197875E+05 0.300216E-04
|
|
2 0.304423E+04 0.517622E-03
|
|
3 0.720024E+03 0.551264E-02
|
|
4 0.234419E+03 0.274778E-01
|
|
5 0.896656E+02 0.133740E+00
|
|
6 0.366955E+02 0.500000E+00
|
|
P 1
|
|
1 0.162564E+02 1.0000000
|
|
P 1
|
|
1 0.765929E+01 1.0000000
|
|
P 1
|
|
1 0.371254E+01 1.0000000
|
|
P 1
|
|
1 0.179916E+01 1.0000000
|
|
P 1
|
|
1 0.862876E+00 1.0000000
|
|
P 1
|
|
1 0.401038E+00 1.0000000
|
|
P 1
|
|
1 0.177588E+00 1.0000000
|
|
P 1
|
|
1 0.807000E-01 1.0000000
|
|
P 1
|
|
1 0.367000E-01 1.0000000
|
|
P 1
|
|
1 0.167000E-01 1.0000000
|
|
P 1
|
|
1 0.697000E-02 1.0000000
|
|
D 1
|
|
1 0.235000E+01 1.0000000
|
|
D 1
|
|
1 0.560000E+00 1.0000000
|
|
D 1
|
|
1 0.140000E+00 1.0000000
|
|
D 1
|
|
1 0.194300E-01 1.0000000
|
|
F 1
|
|
1 0.108000E+01 1.0000000
|
|
F 1
|
|
1 0.240000E+00 1.0000000
|
|
F 1
|
|
1 0.242800E-01 1.0000000
|
|
G 1
|
|
1 0.300000E+00 1.0000000
|
|
G 1
|
|
1 0.291400E-01 1.0000000
|
|
|
|
MAGNESIUM
|
|
S 12
|
|
1 0.319915E+07 0.391890E-05
|
|
2 0.478998E+06 0.298365E-04
|
|
3 0.109007E+06 0.161784E-03
|
|
4 0.308777E+05 0.656345E-03
|
|
5 0.100747E+05 0.251218E-02
|
|
6 0.363790E+04 0.766895E-02
|
|
7 0.141951E+04 0.243777E-01
|
|
8 0.589346E+03 0.592155E-01
|
|
9 0.257527E+03 0.157559E+00
|
|
10 0.117173E+03 0.256745E+00
|
|
11 0.547621E+02 0.500000E+00
|
|
12 0.262878E+02 0.475703E-01
|
|
S 11
|
|
1 0.109007E+06 -0.108620E-05
|
|
2 0.308777E+05 0.155121E-04
|
|
3 0.100747E+05 -0.327411E-04
|
|
4 0.363790E+04 0.275167E-03
|
|
5 0.141951E+04 -0.369415E-03
|
|
6 0.589346E+03 0.413412E-02
|
|
7 0.257527E+03 0.969441E-03
|
|
8 0.117173E+03 0.613808E-01
|
|
9 0.547621E+02 0.890197E-01
|
|
10 0.262878E+02 0.500000E+00
|
|
11 0.128602E+02 0.423132E+00
|
|
S 10
|
|
1 0.100747E+05 -0.240710E-05
|
|
2 0.363790E+04 -0.221989E-04
|
|
3 0.141951E+04 -0.160486E-03
|
|
4 0.589346E+03 -0.114886E-02
|
|
5 0.257527E+03 -0.565943E-02
|
|
6 0.117173E+03 -0.318708E-01
|
|
7 0.547621E+02 -0.107865E+00
|
|
8 0.262878E+02 -0.281598E+00
|
|
9 0.128602E+02 -0.500000E+00
|
|
10 0.626041E+01 0.415557E+00
|
|
S 1
|
|
1 0.285136E+01 1.0000000
|
|
S 1
|
|
1 0.130576E+01 1.0000000
|
|
S 1
|
|
1 0.583314E+00 1.0000000
|
|
S 1
|
|
1 0.168486E+00 1.0000000
|
|
S 1
|
|
1 0.856462E-01 1.0000000
|
|
S 1
|
|
1 0.450770E-01 1.0000000
|
|
S 1
|
|
1 0.219345E-01 1.0000000
|
|
S 1
|
|
1 0.972700E-02 1.0000000
|
|
P 6
|
|
1 0.270260E+05 0.277476E-04
|
|
2 0.415784E+04 0.508239E-03
|
|
3 0.984530E+03 0.514406E-02
|
|
4 0.320090E+03 0.272789E-01
|
|
5 0.121734E+03 0.129472E+00
|
|
6 0.498923E+02 0.500000E+00
|
|
P 1
|
|
1 0.225415E+02 1.0000000
|
|
P 1
|
|
1 0.107486E+02 1.0000000
|
|
P 1
|
|
1 0.528988E+01 1.0000000
|
|
P 1
|
|
1 0.259959E+01 1.0000000
|
|
P 1
|
|
1 0.125184E+01 1.0000000
|
|
P 1
|
|
1 0.592460E+00 1.0000000
|
|
P 1
|
|
1 0.269409E+00 1.0000000
|
|
P 1
|
|
1 0.122500E+00 1.0000000
|
|
P 1
|
|
1 0.557000E-01 1.0000000
|
|
P 1
|
|
1 0.253000E-01 1.0000000
|
|
P 1
|
|
1 0.105400E-01 1.0000000
|
|
D 1
|
|
1 0.336000E+01 1.0000000
|
|
D 1
|
|
1 0.800000E+00 1.0000000
|
|
D 1
|
|
1 0.200000E+00 1.0000000
|
|
D 1
|
|
1 0.389100E-01 1.0000000
|
|
F 1
|
|
1 0.135000E+01 1.0000000
|
|
F 1
|
|
1 0.300000E+00 1.0000000
|
|
F 1
|
|
1 0.486400E-01 1.0000000
|
|
G 1
|
|
1 0.350000E+00 1.0000000
|
|
G 1
|
|
1 0.583600E-01 1.0000000
|
|
|
|
ALUMINUM
|
|
S 12
|
|
1 0.384517E+07 0.387910E-05
|
|
2 0.575264E+06 0.298223E-04
|
|
3 0.130858E+06 0.159468E-03
|
|
4 0.370630E+05 0.659105E-03
|
|
5 0.120944E+05 0.246485E-02
|
|
6 0.436684E+04 0.775246E-02
|
|
7 0.170362E+04 0.238445E-01
|
|
8 0.707134E+03 0.607476E-01
|
|
9 0.308972E+03 0.154335E+00
|
|
10 0.140711E+03 0.278008E+00
|
|
11 0.659171E+02 0.500000E+00
|
|
12 0.317297E+02 0.196580E+00
|
|
S 10
|
|
1 0.370630E+05 0.104278E-04
|
|
2 0.120944E+05 -0.177934E-04
|
|
3 0.436684E+04 0.189502E-03
|
|
4 0.170362E+04 -0.148861E-03
|
|
5 0.707134E+03 0.313830E-02
|
|
6 0.308972E+03 0.311673E-02
|
|
7 0.140711E+03 0.525722E-01
|
|
8 0.659171E+02 0.102819E+00
|
|
9 0.317297E+02 0.462513E+00
|
|
10 0.155869E+02 0.500000E+00
|
|
S 10
|
|
1 0.120944E+05 -0.241550E-05
|
|
2 0.436684E+04 0.304539E-04
|
|
3 0.170362E+04 0.106970E-03
|
|
4 0.707134E+03 0.130485E-02
|
|
5 0.308972E+03 0.543739E-02
|
|
6 0.140711E+03 0.343075E-01
|
|
7 0.659171E+02 0.109702E+00
|
|
8 0.317297E+02 0.305996E+00
|
|
9 0.155869E+02 0.500000E+00
|
|
10 0.763820E+01 -0.381436E+00
|
|
S 1
|
|
1 0.354545E+01 1.0000000
|
|
S 1
|
|
1 0.166791E+01 1.0000000
|
|
S 1
|
|
1 0.769391E+00 1.0000000
|
|
S 1
|
|
1 0.279175E+00 1.0000000
|
|
S 1
|
|
1 0.140164E+00 1.0000000
|
|
S 1
|
|
1 0.703358E-01 1.0000000
|
|
S 1
|
|
1 0.336599E-01 1.0000000
|
|
S 1
|
|
1 0.147000E-01 1.0000000
|
|
P 6
|
|
1 0.369672E+05 -0.750940E-05
|
|
2 0.568726E+04 -0.655432E-03
|
|
3 0.134521E+04 -0.235257E-02
|
|
4 0.436378E+03 -0.330129E-01
|
|
5 0.165446E+03 -0.521523E-01
|
|
6 0.686188E+02 -0.500000E+00
|
|
P 6
|
|
1 0.568726E+04 -0.711854E-03
|
|
2 0.134521E+04 -0.130906E-02
|
|
3 0.436378E+03 -0.350292E-01
|
|
4 0.165446E+03 -0.214566E-01
|
|
5 0.686188E+02 -0.500000E+00
|
|
6 0.318753E+02 0.499231E+00
|
|
P 1
|
|
1 0.154322E+02 1.0000000
|
|
P 1
|
|
1 0.775703E+01 1.0000000
|
|
P 1
|
|
1 0.392565E+01 1.0000000
|
|
P 1
|
|
1 0.197644E+01 1.0000000
|
|
P 1
|
|
1 0.999178E+00 1.0000000
|
|
P 1
|
|
1 0.506297E+00 1.0000000
|
|
P 1
|
|
1 0.258474E+00 1.0000000
|
|
P 1
|
|
1 0.115664E+00 1.0000000
|
|
P 1
|
|
1 0.510481E-01 1.0000000
|
|
P 1
|
|
1 0.212002E-01 1.0000000
|
|
P 1
|
|
1 0.812900E-02 1.0000000
|
|
D 1
|
|
1 0.178100E+02 1.0000000
|
|
D 1
|
|
1 0.509000E+01 1.0000000
|
|
D 1
|
|
1 0.175000E+01 1.0000000
|
|
D 1
|
|
1 0.630000E+00 1.0000000
|
|
D 1
|
|
1 0.270000E+00 1.0000000
|
|
D 1
|
|
1 0.110000E+00 1.0000000
|
|
D 1
|
|
1 0.243900E-01 1.0000000
|
|
F 1
|
|
1 0.217000E+01 1.0000000
|
|
F 1
|
|
1 0.510000E+00 1.0000000
|
|
F 1
|
|
1 0.210000E+00 1.0000000
|
|
F 1
|
|
1 0.325200E-01 1.0000000
|
|
G 1
|
|
1 0.114000E+01 1.0000000
|
|
G 1
|
|
1 0.380000E+00 1.0000000
|
|
G 1
|
|
1 0.406400E-01 1.0000000
|
|
H 1
|
|
1 0.690000E+00 1.0000000
|
|
H 1
|
|
1 0.487700E-01 1.0000000
|
|
|
|
SILICON
|
|
S 12
|
|
1 0.461583E+07 0.410860E-05
|
|
2 0.719013E+06 0.298028E-04
|
|
3 0.169992E+06 0.151526E-03
|
|
4 0.493998E+05 0.614464E-03
|
|
5 0.163852E+05 0.224560E-02
|
|
6 0.598542E+04 0.705270E-02
|
|
7 0.235411E+04 0.213671E-01
|
|
8 0.981401E+03 0.556544E-01
|
|
9 0.428896E+03 0.141780E+00
|
|
10 0.194540E+03 0.278500E+00
|
|
11 0.907770E+02 0.500000E+00
|
|
12 0.437154E+02 0.386633E+00
|
|
S 10
|
|
1 0.493998E+05 0.374630E-05
|
|
2 0.163852E+05 -0.858510E-05
|
|
3 0.598542E+04 0.737057E-04
|
|
4 0.235411E+04 -0.316108E-04
|
|
5 0.981401E+03 0.144443E-02
|
|
6 0.428896E+03 0.289372E-02
|
|
7 0.194540E+03 0.285456E-01
|
|
8 0.907770E+02 0.831017E-01
|
|
9 0.437154E+02 0.276981E+00
|
|
10 0.214905E+02 0.500000E+00
|
|
S 10
|
|
1 0.163852E+05 0.461650E-05
|
|
2 0.598542E+04 -0.242306E-04
|
|
3 0.235411E+04 -0.388697E-04
|
|
4 0.981401E+03 -0.914019E-03
|
|
5 0.428896E+03 -0.361284E-02
|
|
6 0.194540E+03 -0.235984E-01
|
|
7 0.907770E+02 -0.868748E-01
|
|
8 0.437154E+02 -0.226360E+00
|
|
9 0.214905E+02 -0.500000E+00
|
|
10 0.106688E+02 0.260325E+00
|
|
S 1
|
|
1 0.488815E+01 1.0000000
|
|
S 1
|
|
1 0.233610E+01 1.0000000
|
|
S 1
|
|
1 0.109667E+01 1.0000000
|
|
S 1
|
|
1 0.423124E+00 1.0000000
|
|
S 1
|
|
1 0.242757E+00 1.0000000
|
|
S 1
|
|
1 0.117035E+00 1.0000000
|
|
S 1
|
|
1 0.528607E-01 1.0000000
|
|
S 1
|
|
1 0.218970E-01 1.0000000
|
|
P 6
|
|
1 0.419464E+05 0.148260E-05
|
|
2 0.645329E+04 0.610479E-03
|
|
3 0.153395E+04 0.135215E-02
|
|
4 0.498384E+03 0.303749E-01
|
|
5 0.188978E+03 0.342295E-01
|
|
6 0.778870E+02 0.500000E+00
|
|
P 6
|
|
1 0.645329E+04 0.616509E-03
|
|
2 0.153395E+04 0.114097E-02
|
|
3 0.498384E+03 0.305508E-01
|
|
4 0.188978E+03 0.286889E-01
|
|
5 0.778870E+02 0.500000E+00
|
|
6 0.355138E+02 -0.758991E-01
|
|
P 1
|
|
1 0.170159E+02 1.0000000
|
|
P 1
|
|
1 0.849770E+01 1.0000000
|
|
P 1
|
|
1 0.435444E+01 1.0000000
|
|
P 1
|
|
1 0.225750E+01 1.0000000
|
|
P 1
|
|
1 0.115967E+01 1.0000000
|
|
P 1
|
|
1 0.593432E+00 1.0000000
|
|
P 1
|
|
1 0.290119E+00 1.0000000
|
|
P 1
|
|
1 0.138249E+00 1.0000000
|
|
P 1
|
|
1 0.645939E-01 1.0000000
|
|
P 1
|
|
1 0.283545E-01 1.0000000
|
|
P 1
|
|
1 0.114420E-01 1.0000000
|
|
D 1
|
|
1 0.195200E+02 1.0000000
|
|
D 1
|
|
1 0.558000E+01 1.0000000
|
|
D 1
|
|
1 0.192000E+01 1.0000000
|
|
D 1
|
|
1 0.690000E+00 1.0000000
|
|
D 1
|
|
1 0.299000E+00 1.0000000
|
|
D 1
|
|
1 0.125000E+00 1.0000000
|
|
D 1
|
|
1 0.343260E-01 1.0000000
|
|
F 1
|
|
1 0.264000E+01 1.0000000
|
|
F 1
|
|
1 0.620000E+00 1.0000000
|
|
F 1
|
|
1 0.260000E+00 1.0000000
|
|
F 1
|
|
1 0.457680E-01 1.0000000
|
|
G 1
|
|
1 0.135000E+01 1.0000000
|
|
G 1
|
|
1 0.450000E+00 1.0000000
|
|
G 1
|
|
1 0.572110E-01 1.0000000
|
|
H 1
|
|
1 0.780000E+00 1.0000000
|
|
H 1
|
|
1 0.686530E-01 1.0000000
|
|
|
|
PHOSPHORUS
|
|
S 12
|
|
1 0.526252E+07 0.430550E-05
|
|
2 0.822125E+06 0.312253E-04
|
|
3 0.194253E+06 0.158640E-03
|
|
4 0.564235E+05 0.645484E-03
|
|
5 0.187160E+05 0.234826E-02
|
|
6 0.683928E+04 0.740459E-02
|
|
7 0.269306E+04 0.222292E-01
|
|
8 0.112648E+04 0.578223E-01
|
|
9 0.495208E+03 0.144708E+00
|
|
10 0.226383E+03 0.283965E+00
|
|
11 0.106617E+03 0.500000E+00
|
|
12 0.519048E+02 0.402895E+00
|
|
S 10
|
|
1 0.564235E+05 0.341400E-05
|
|
2 0.187160E+05 -0.888580E-05
|
|
3 0.683928E+04 0.704574E-04
|
|
4 0.269306E+04 -0.274800E-04
|
|
5 0.112648E+04 0.145148E-02
|
|
6 0.495208E+03 0.303713E-02
|
|
7 0.226383E+03 0.286599E-01
|
|
8 0.106617E+03 0.832599E-01
|
|
9 0.519048E+02 0.270546E+00
|
|
10 0.258506E+02 0.500000E+00
|
|
S 10
|
|
1 0.187160E+05 -0.836920E-05
|
|
2 0.683928E+04 0.307092E-04
|
|
3 0.269306E+04 0.367610E-05
|
|
4 0.112648E+04 0.105394E-02
|
|
5 0.495208E+03 0.354449E-02
|
|
6 0.226383E+03 0.250889E-01
|
|
7 0.106617E+03 0.876943E-01
|
|
8 0.519048E+02 0.216854E+00
|
|
9 0.258506E+02 0.500000E+00
|
|
10 0.130219E+02 -0.442407E+00
|
|
S 1
|
|
1 0.605679E+01 1.0000000
|
|
S 1
|
|
1 0.295743E+01 1.0000000
|
|
S 1
|
|
1 0.140784E+01 1.0000000
|
|
S 1
|
|
1 0.571875E+00 1.0000000
|
|
S 1
|
|
1 0.310778E+00 1.0000000
|
|
S 1
|
|
1 0.149470E+00 1.0000000
|
|
S 1
|
|
1 0.683135E-01 1.0000000
|
|
S 1
|
|
1 0.286070E-01 1.0000000
|
|
P 6
|
|
1 0.503661E+05 0.613000E-06
|
|
2 0.774862E+04 0.608978E-03
|
|
3 0.183359E+04 0.125256E-02
|
|
4 0.595546E+03 0.305604E-01
|
|
5 0.226610E+03 0.310388E-01
|
|
6 0.941913E+02 0.500000E+00
|
|
P 6
|
|
1 0.774862E+04 -0.611098E-03
|
|
2 0.183359E+04 -0.116387E-02
|
|
3 0.595546E+03 -0.306189E-01
|
|
4 0.226610E+03 -0.287164E-01
|
|
5 0.941913E+02 -0.500000E+00
|
|
6 0.433319E+02 0.306459E-01
|
|
P 1
|
|
1 0.209074E+02 1.0000000
|
|
P 1
|
|
1 0.105015E+02 1.0000000
|
|
P 1
|
|
1 0.542547E+01 1.0000000
|
|
P 1
|
|
1 0.288179E+01 1.0000000
|
|
P 1
|
|
1 0.152843E+01 1.0000000
|
|
P 1
|
|
1 0.810815E+00 1.0000000
|
|
P 1
|
|
1 0.390282E+00 1.0000000
|
|
P 1
|
|
1 0.186453E+00 1.0000000
|
|
P 1
|
|
1 0.875669E-01 1.0000000
|
|
P 1
|
|
1 0.386731E-01 1.0000000
|
|
P 1
|
|
1 0.156930E-01 1.0000000
|
|
D 1
|
|
1 0.212300E+02 1.0000000
|
|
D 1
|
|
1 0.607000E+01 1.0000000
|
|
D 1
|
|
1 0.209000E+01 1.0000000
|
|
D 1
|
|
1 0.750000E+00 1.0000000
|
|
D 1
|
|
1 0.325000E+00 1.0000000
|
|
D 1
|
|
1 0.135000E+00 1.0000000
|
|
D 1
|
|
1 0.470800E-01 1.0000000
|
|
F 1
|
|
1 0.312000E+01 1.0000000
|
|
F 1
|
|
1 0.730000E+00 1.0000000
|
|
F 1
|
|
1 0.300000E+00 1.0000000
|
|
F 1
|
|
1 0.627740E-01 1.0000000
|
|
G 1
|
|
1 0.155000E+01 1.0000000
|
|
G 1
|
|
1 0.520000E+00 1.0000000
|
|
G 1
|
|
1 0.784670E-01 1.0000000
|
|
H 1
|
|
1 0.870000E+00 1.0000000
|
|
H 1
|
|
1 0.941610E-01 1.0000000
|
|
|
|
SULFUR
|
|
S 12
|
|
1 0.635920E+07 0.403580E-05
|
|
2 0.983887E+06 0.298221E-04
|
|
3 0.229773E+06 0.153274E-03
|
|
4 0.662758E+05 0.629541E-03
|
|
5 0.218839E+05 0.229278E-02
|
|
6 0.796959E+04 0.729061E-02
|
|
7 0.312992E+04 0.218407E-01
|
|
8 0.130517E+04 0.575561E-01
|
|
9 0.571698E+03 0.143634E+00
|
|
10 0.260581E+03 0.286807E+00
|
|
11 0.122481E+03 0.500000E+00
|
|
12 0.595182E+02 0.415460E+00
|
|
S 10
|
|
1 0.662758E+05 0.649740E-05
|
|
2 0.218839E+05 -0.171515E-04
|
|
3 0.796959E+04 0.122018E-03
|
|
4 0.312992E+04 -0.140711E-03
|
|
5 0.130517E+04 0.209419E-02
|
|
6 0.571698E+03 0.230112E-02
|
|
7 0.260581E+03 0.361734E-01
|
|
8 0.122481E+03 0.848892E-01
|
|
9 0.595182E+02 0.329232E+00
|
|
10 0.296267E+02 0.500000E+00
|
|
S 10
|
|
1 0.218839E+05 -0.463260E-05
|
|
2 0.796959E+04 -0.116763E-04
|
|
3 0.312992E+04 -0.134709E-03
|
|
4 0.130517E+04 -0.647916E-03
|
|
5 0.571698E+03 -0.391924E-02
|
|
6 0.260581E+03 -0.195295E-01
|
|
7 0.122481E+03 -0.789418E-01
|
|
8 0.595182E+02 -0.241372E+00
|
|
9 0.296267E+02 -0.500000E+00
|
|
10 0.149432E+02 -0.380336E+00
|
|
S 1
|
|
1 0.704789E+01 1.0000000
|
|
S 1
|
|
1 0.350404E+01 1.0000000
|
|
S 1
|
|
1 0.169969E+01 1.0000000
|
|
S 1
|
|
1 0.731007E+00 1.0000000
|
|
S 1
|
|
1 0.379476E+00 1.0000000
|
|
S 1
|
|
1 0.181852E+00 1.0000000
|
|
S 1
|
|
1 0.839606E-01 1.0000000
|
|
S 1
|
|
1 0.354870E-01 1.0000000
|
|
P 6
|
|
1 0.607190E+05 0.558200E-06
|
|
2 0.934139E+04 0.612423E-03
|
|
3 0.220865E+04 0.126287E-02
|
|
4 0.716270E+03 0.308682E-01
|
|
5 0.272505E+03 0.314253E-01
|
|
6 0.113768E+03 0.500000E+00
|
|
P 6
|
|
1 0.934139E+04 0.614415E-03
|
|
2 0.220865E+04 0.118213E-02
|
|
3 0.716270E+03 0.309229E-01
|
|
4 0.272505E+03 0.292906E-01
|
|
5 0.113768E+03 0.500000E+00
|
|
6 0.525714E+02 -0.287293E-01
|
|
P 1
|
|
1 0.253973E+02 1.0000000
|
|
P 1
|
|
1 0.127703E+02 1.0000000
|
|
P 1
|
|
1 0.662243E+01 1.0000000
|
|
P 1
|
|
1 0.353882E+01 1.0000000
|
|
P 1
|
|
1 0.187562E+01 1.0000000
|
|
P 1
|
|
1 0.990177E+00 1.0000000
|
|
P 1
|
|
1 0.477231E+00 1.0000000
|
|
P 1
|
|
1 0.226924E+00 1.0000000
|
|
P 1
|
|
1 0.104733E+00 1.0000000
|
|
P 1
|
|
1 0.453027E-01 1.0000000
|
|
P 1
|
|
1 0.180360E-01 1.0000000
|
|
D 1
|
|
1 0.229300E+02 1.0000000
|
|
D 1
|
|
1 0.655000E+01 1.0000000
|
|
D 1
|
|
1 0.226000E+01 1.0000000
|
|
D 1
|
|
1 0.810000E+00 1.0000000
|
|
D 1
|
|
1 0.351000E+00 1.0000000
|
|
D 1
|
|
1 0.146000E+00 1.0000000
|
|
D 1
|
|
1 0.541070E-01 1.0000000
|
|
F 1
|
|
1 0.359000E+01 1.0000000
|
|
F 1
|
|
1 0.840000E+00 1.0000000
|
|
F 1
|
|
1 0.350000E+00 1.0000000
|
|
F 1
|
|
1 0.721420E-01 1.0000000
|
|
G 1
|
|
1 0.176000E+01 1.0000000
|
|
G 1
|
|
1 0.590000E+00 1.0000000
|
|
G 1
|
|
1 0.901780E-01 1.0000000
|
|
H 1
|
|
1 0.950000E+00 1.0000000
|
|
H 1
|
|
1 0.108210E+00 1.0000000
|
|
|
|
CHLORINE
|
|
S 12
|
|
1 0.742123E+07 0.390420E-05
|
|
2 0.114107E+07 0.292496E-04
|
|
3 0.264425E+06 0.151157E-03
|
|
4 0.757909E+05 0.629216E-03
|
|
5 0.249248E+05 0.228123E-02
|
|
6 0.905259E+04 0.734903E-02
|
|
7 0.354813E+04 0.217978E-01
|
|
8 0.147798E+04 0.583527E-01
|
|
9 0.647354E+03 0.143149E+00
|
|
10 0.295333E+03 0.293501E+00
|
|
11 0.138978E+03 0.500000E+00
|
|
12 0.675489E+02 0.453946E+00
|
|
S 11
|
|
1 0.264425E+06 -0.204120E-05
|
|
2 0.757909E+05 0.204112E-04
|
|
3 0.249248E+05 -0.545523E-04
|
|
4 0.905259E+04 0.353532E-03
|
|
5 0.354813E+04 -0.674199E-03
|
|
6 0.147798E+04 0.487103E-02
|
|
7 0.647354E+03 -0.218791E-02
|
|
8 0.295333E+03 0.638801E-01
|
|
9 0.138978E+03 0.655606E-01
|
|
10 0.675489E+02 0.500000E+00
|
|
11 0.336610E+02 0.338781E+00
|
|
S 10
|
|
1 0.249248E+05 0.160700E-05
|
|
2 0.905259E+04 0.161256E-04
|
|
3 0.354813E+04 0.105180E-03
|
|
4 0.147798E+04 0.750357E-03
|
|
5 0.647354E+03 0.389227E-02
|
|
6 0.295333E+03 0.211529E-01
|
|
7 0.138978E+03 0.817072E-01
|
|
8 0.675489E+02 0.243652E+00
|
|
9 0.336610E+02 0.500000E+00
|
|
10 0.170273E+02 0.191620E+00
|
|
S 1
|
|
1 0.815043E+01 1.0000000
|
|
S 1
|
|
1 0.413190E+01 1.0000000
|
|
S 1
|
|
1 0.204567E+01 1.0000000
|
|
S 1
|
|
1 0.940294E+00 1.0000000
|
|
S 1
|
|
1 0.469013E+00 1.0000000
|
|
S 1
|
|
1 0.222191E+00 1.0000000
|
|
S 1
|
|
1 0.102198E+00 1.0000000
|
|
S 1
|
|
1 0.430460E-01 1.0000000
|
|
P 6
|
|
1 0.717298E+05 0.441300E-06
|
|
2 0.110354E+05 0.619939E-03
|
|
3 0.261153E+04 0.125210E-02
|
|
4 0.848019E+03 0.311433E-01
|
|
5 0.323004E+03 0.311576E-01
|
|
6 0.135328E+03 0.500000E+00
|
|
P 6
|
|
1 0.110354E+05 0.621542E-03
|
|
2 0.261153E+04 0.118838E-02
|
|
3 0.848019E+03 0.311878E-01
|
|
4 0.323004E+03 0.294697E-01
|
|
5 0.135328E+03 0.500000E+00
|
|
6 0.626841E+02 -0.230354E-01
|
|
P 1
|
|
1 0.302982E+02 1.0000000
|
|
P 1
|
|
1 0.152400E+02 1.0000000
|
|
P 1
|
|
1 0.792595E+01 1.0000000
|
|
P 1
|
|
1 0.428531E+01 1.0000000
|
|
P 1
|
|
1 0.230431E+01 1.0000000
|
|
P 1
|
|
1 0.123574E+01 1.0000000
|
|
P 1
|
|
1 0.600210E+00 1.0000000
|
|
P 1
|
|
1 0.287394E+00 1.0000000
|
|
P 1
|
|
1 0.131853E+00 1.0000000
|
|
P 1
|
|
1 0.569701E-01 1.0000000
|
|
P 1
|
|
1 0.226570E-01 1.0000000
|
|
D 1
|
|
1 0.246300E+02 1.0000000
|
|
D 1
|
|
1 0.704000E+01 1.0000000
|
|
D 1
|
|
1 0.243000E+01 1.0000000
|
|
D 1
|
|
1 0.870000E+00 1.0000000
|
|
D 1
|
|
1 0.377000E+00 1.0000000
|
|
D 1
|
|
1 0.157000E+00 1.0000000
|
|
D 1
|
|
1 0.679720E-01 1.0000000
|
|
F 1
|
|
1 0.406000E+01 1.0000000
|
|
F 1
|
|
1 0.950000E+00 1.0000000
|
|
F 1
|
|
1 0.390000E+00 1.0000000
|
|
F 1
|
|
1 0.906290E-01 1.0000000
|
|
G 1
|
|
1 0.197000E+01 1.0000000
|
|
G 1
|
|
1 0.660000E+00 1.0000000
|
|
G 1
|
|
1 0.113290E+00 1.0000000
|
|
H 1
|
|
1 0.104000E+01 1.0000000
|
|
H 1
|
|
1 0.135940E+00 1.0000000
|
|
|
|
ARGON
|
|
S 12
|
|
1 0.944513E+07 0.168500E-05
|
|
2 0.141413E+07 0.135914E-04
|
|
3 0.321813E+06 0.677900E-04
|
|
4 0.911579E+05 0.307161E-03
|
|
5 0.297428E+05 0.102495E-02
|
|
6 0.107395E+05 0.372254E-02
|
|
7 0.418999E+04 0.974399E-02
|
|
8 0.173892E+04 0.311353E-01
|
|
9 0.759285E+03 0.646897E-01
|
|
10 0.345503E+03 0.180201E+00
|
|
11 0.162357E+03 0.249256E+00
|
|
12 0.788881E+02 0.500000E+00
|
|
S 12
|
|
1 0.141413E+07 0.100410E-05
|
|
2 0.321813E+06 -0.234400E-05
|
|
3 0.911579E+05 0.327478E-04
|
|
4 0.297428E+05 -0.740118E-04
|
|
5 0.107395E+05 0.547237E-03
|
|
6 0.418999E+04 -0.106610E-02
|
|
7 0.173892E+04 0.676288E-02
|
|
8 0.759285E+03 -0.770872E-02
|
|
9 0.345503E+03 0.734738E-01
|
|
10 0.162357E+03 0.453491E-03
|
|
11 0.788881E+02 0.500000E+00
|
|
12 0.393209E+02 -0.855413E-01
|
|
S 10
|
|
1 0.297428E+05 0.144140E-05
|
|
2 0.107395E+05 0.129960E-04
|
|
3 0.418999E+04 0.977974E-04
|
|
4 0.173892E+04 0.674870E-03
|
|
5 0.759285E+03 0.367738E-02
|
|
6 0.345503E+03 0.196743E-01
|
|
7 0.162357E+03 0.786186E-01
|
|
8 0.788881E+02 0.234523E+00
|
|
9 0.393209E+02 0.500000E+00
|
|
10 0.199184E+02 0.222100E+00
|
|
S 1
|
|
1 0.957641E+01 1.0000000
|
|
S 1
|
|
1 0.491611E+01 1.0000000
|
|
S 1
|
|
1 0.246476E+01 1.0000000
|
|
S 1
|
|
1 0.118304E+01 1.0000000
|
|
S 1
|
|
1 0.575208E+00 1.0000000
|
|
S 1
|
|
1 0.270406E+00 1.0000000
|
|
S 1
|
|
1 0.123116E+00 1.0000000
|
|
S 1
|
|
1 0.513800E-01 1.0000000
|
|
P 6
|
|
1 0.845397E+05 0.316100E-06
|
|
2 0.130061E+05 0.625071E-03
|
|
3 0.307813E+04 0.124407E-02
|
|
4 0.999564E+03 0.314161E-01
|
|
5 0.380974E+03 0.307952E-01
|
|
6 0.160276E+03 0.500000E+00
|
|
P 6
|
|
1 0.130061E+05 0.626225E-03
|
|
2 0.307813E+04 0.119842E-02
|
|
3 0.999564E+03 0.314481E-01
|
|
4 0.380974E+03 0.295795E-01
|
|
5 0.160276E+03 0.500000E+00
|
|
6 0.744941E+02 -0.167246E-01
|
|
P 1
|
|
1 0.360649E+02 1.0000000
|
|
P 1
|
|
1 0.181644E+02 1.0000000
|
|
P 1
|
|
1 0.946650E+01 1.0000000
|
|
P 1
|
|
1 0.516300E+01 1.0000000
|
|
P 1
|
|
1 0.280849E+01 1.0000000
|
|
P 1
|
|
1 0.152347E+01 1.0000000
|
|
P 1
|
|
1 0.743785E+00 1.0000000
|
|
P 1
|
|
1 0.356799E+00 1.0000000
|
|
P 1
|
|
1 0.162215E+00 1.0000000
|
|
P 1
|
|
1 0.699561E-01 1.0000000
|
|
P 1
|
|
1 0.277700E-01 1.0000000
|
|
D 1
|
|
1 0.263300E+02 1.0000000
|
|
D 1
|
|
1 0.753000E+01 1.0000000
|
|
D 1
|
|
1 0.260000E+01 1.0000000
|
|
D 1
|
|
1 0.930000E+00 1.0000000
|
|
D 1
|
|
1 0.410000E+00 1.0000000
|
|
D 1
|
|
1 0.170000E+00 1.0000000
|
|
D 1
|
|
1 0.833100E-01 1.0000000
|
|
F 1
|
|
1 0.453000E+01 1.0000000
|
|
F 1
|
|
1 0.106000E+01 1.0000000
|
|
F 1
|
|
1 0.440000E+00 1.0000000
|
|
F 1
|
|
1 0.111100E+00 1.0000000
|
|
G 1
|
|
1 0.218000E+01 1.0000000
|
|
G 1
|
|
1 0.730000E+00 1.0000000
|
|
G 1
|
|
1 0.138900E+00 1.0000000
|
|
H 1
|
|
1 0.112000E+01 1.0000000
|
|
H 1
|
|
1 0.166600E+00 1.0000000
|
|
|
|
|