mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-29 07:35:48 +01:00
1361 lines
46 KiB
Plaintext
1361 lines
46 KiB
Plaintext
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HYDROGEN
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S 5
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1 0.774689E+03 0.880398E-03
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2 0.116159E+03 0.695814E-02
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3 0.264490E+02 0.356183E-01
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4 0.750149E+01 0.153734E+00
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5 0.245685E+01 0.500000E+00
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S 1
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1 0.887743E+00 1.0000000
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S 1
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1 0.340847E+00 1.0000000
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S 1
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1 0.134773E+00 1.0000000
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S 1
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1 0.522633E-01 1.0000000
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S 1
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1 0.188000E-01 1.0000000
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P 2
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1 0.390000E+02 0.359880E-01
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2 0.650000E+01 0.500000E+00
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P 1
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1 0.155000E+01 1.0000000
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P 1
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1 0.550000E+00 1.0000000
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P 1
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1 0.200000E+00 1.0000000
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P 1
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1 0.563990E-01 1.0000000
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D 1
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1 0.195000E+01 1.0000000
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D 1
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1 0.650000E+00 1.0000000
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D 1
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1 0.751990E-01 1.0000000
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F 1
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1 0.220000E+01 1.0000000
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F 1
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1 0.939990E-01 1.0000000
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HELIUM
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S 5
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1 0.216742E+04 0.946735E-03
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2 0.324988E+03 0.735064E-02
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3 0.739935E+02 0.382473E-01
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4 0.209754E+02 0.155840E+00
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5 0.684520E+01 0.500000E+00
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S 1
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1 0.243945E+01 1.0000000
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S 1
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1 0.902506E+00 1.0000000
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S 1
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1 0.333134E+00 1.0000000
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S 1
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1 0.124133E+00 1.0000000
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S 1
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1 0.430400E-01 1.0000000
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P 2
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1 0.642000E+02 0.194830E-01
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2 0.107000E+02 0.500000E+00
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P 1
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1 0.255000E+01 1.0000000
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P 1
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1 0.900000E+00 1.0000000
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P 1
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1 0.330000E+00 1.0000000
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P 1
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1 0.129100E+00 1.0000000
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D 1
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1 0.320000E+01 1.0000000
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D 1
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1 0.107000E+01 1.0000000
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D 1
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1 0.172200E+00 1.0000000
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F 1
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1 0.320000E+01 1.0000000
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F 1
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1 0.215200E+00 1.0000000
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LITHIUM
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S 9
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1 0.130183E+05 0.879202E-04
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2 0.195014E+04 0.672333E-03
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3 0.443841E+03 0.360664E-02
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4 0.125763E+03 0.145709E-01
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5 0.410936E+02 0.528992E-01
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6 0.148822E+02 0.142629E+00
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7 0.580752E+01 0.344660E+00
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8 0.238906E+01 0.493644E+00
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9 0.101844E+01 0.500000E+00
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S 9
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1 0.195014E+04 -0.987320E-05
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2 0.443841E+03 0.211079E-04
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3 0.125763E+03 -0.354614E-03
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4 0.410936E+02 0.402938E-03
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5 0.148822E+02 -0.798341E-02
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6 0.580752E+01 -0.555454E-02
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7 0.238906E+01 -0.113852E+00
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8 0.101844E+01 -0.587973E-01
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9 0.444044E+00 -0.500000E+00
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S 1
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1 0.194049E+00 1.0000000
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S 1
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1 0.840388E-01 1.0000000
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S 1
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1 0.379208E-01 1.0000000
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S 1
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1 0.166404E-01 1.0000000
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S 1
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1 0.671300E-02 1.0000000
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P 2
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1 0.100100E+03 0.328486E-01
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2 0.154000E+02 0.500000E+00
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P 1
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1 0.359000E+01 1.0000000
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P 1
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1 0.109000E+01 1.0000000
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P 1
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1 0.350000E+00 1.0000000
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P 1
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1 0.130000E+00 1.0000000
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P 1
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1 0.500000E-01 1.0000000
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P 1
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1 0.201400E-01 1.0000000
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D 1
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1 0.480000E+00 1.0000000
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D 1
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1 0.150000E+00 1.0000000
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D 1
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1 0.268500E-01 1.0000000
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F 1
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1 0.350000E+00 1.0000000
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F 1
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1 0.335700E-01 1.0000000
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BERYLLIUM
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S 9
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1 0.266729E+05 0.768386E-04
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2 0.399633E+04 0.588867E-03
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3 0.909667E+03 0.314821E-02
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4 0.257774E+03 0.127980E-01
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5 0.842343E+02 0.463516E-01
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6 0.305449E+02 0.128995E+00
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7 0.120205E+02 0.304643E+00
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8 0.504954E+01 0.491771E+00
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9 0.217190E+01 0.500000E+00
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S 9
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1 0.399633E+04 -0.577890E-05
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2 0.909667E+03 0.111338E-04
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3 0.257774E+03 -0.221271E-03
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4 0.842343E+02 0.383379E-04
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5 0.305449E+02 -0.590993E-02
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6 0.120205E+02 -0.137739E-01
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7 0.504954E+01 -0.102588E+00
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8 0.217190E+01 -0.150857E+00
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9 0.934098E+00 -0.500000E+00
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S 1
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1 0.389182E+00 1.0000000
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S 1
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1 0.174018E+00 1.0000000
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S 1
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1 0.760285E-01 1.0000000
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S 1
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1 0.322646E-01 1.0000000
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S 1
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1 0.126200E-01 1.0000000
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P 2
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1 0.180700E+03 0.358202E-01
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2 0.278000E+02 0.500000E+00
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P 1
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1 0.646000E+01 1.0000000
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P 1
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1 0.196000E+01 1.0000000
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P 1
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1 0.630000E+00 1.0000000
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P 1
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|
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1 0.240000E+00 1.0000000
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P 1
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|
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1 0.900000E-01 1.0000000
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P 1
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1 0.378000E-01 1.0000000
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D 1
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1 0.800000E+00 1.0000000
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D 1
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1 0.250000E+00 1.0000000
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D 1
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1 0.504000E-01 1.0000000
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F 1
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1 0.550000E+00 1.0000000
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F 1
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1 0.630000E-01 1.0000000
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BORON
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S 9
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1 0.574148E+05 0.516733E-04
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2 0.860153E+04 0.404139E-03
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||
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3 0.554611E+03 0.891041E-02
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4 0.195779E+04 0.210023E-02
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5 0.181051E+03 0.310413E-01
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6 0.654909E+02 0.956422E-01
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7 0.255994E+02 0.225336E+00
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8 0.105323E+02 0.440171E+00
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9 0.444648E+01 0.500000E+00
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S 7
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1 0.195779E+04 -0.314920E-05
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2 0.181051E+03 -0.304635E-03
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3 0.654909E+02 -0.172814E-02
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||
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4 0.255994E+02 -0.139521E-01
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5 0.105323E+02 -0.740665E-01
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||
|
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6 0.444648E+01 -0.174408E+00
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||
|
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7 0.188320E+01 -0.500000E+00
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|
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S 1
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||
|
|
1 0.698312E+00 1.0000000
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||
|
|
S 1
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||
|
|
1 0.343100E+00 1.0000000
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||
|
|
S 1
|
||
|
|
1 0.142760E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.581574E-01 1.0000000
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|
|
S 1
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||
|
|
1 0.219100E-01 1.0000000
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||
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|
P 3
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||
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|
1 0.585723E+03 0.307589E-02
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2 0.901112E+02 0.533608E-01
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||
|
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3 0.211653E+02 0.500000E+00
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P 1
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||
|
|
1 0.656183E+01 1.0000000
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||
|
|
P 1
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||
|
|
1 0.256465E+01 1.0000000
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||
|
|
P 1
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||
|
|
1 0.105104E+01 1.0000000
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|
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P 1
|
||
|
|
1 0.451929E+00 1.0000000
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||
|
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P 1
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||
|
|
1 0.194682E+00 1.0000000
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|
|
P 1
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||
|
|
1 0.832120E-01 1.0000000
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|
|
P 1
|
||
|
|
1 0.332973E-01 1.0000000
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||
|
|
P 1
|
||
|
|
1 0.123400E-01 1.0000000
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||
|
|
D 1
|
||
|
|
1 0.400000E+01 1.0000000
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||
|
|
D 1
|
||
|
|
1 0.105000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.400000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.150000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.370100E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.120000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.520000E+00 1.0000000
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|
|
F 1
|
||
|
|
1 0.493500E-01 1.0000000
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||
|
|
G 1
|
||
|
|
1 0.130000E+01 1.0000000
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G 1
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1 0.616800E-01 1.0000000
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CARBON
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S 9
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1 0.871412E+05 0.486958E-04
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2 0.130520E+05 0.381746E-03
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|
|
3 0.297061E+04 0.197802E-02
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4 0.841460E+03 0.842994E-02
|
||
|
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5 0.274589E+03 0.292926E-01
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|
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6 0.992150E+02 0.913311E-01
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|
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7 0.386940E+02 0.218312E+00
|
||
|
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8 0.159109E+02 0.426628E+00
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|
|
9 0.676677E+01 0.500000E+00
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|
|
S 9
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||
|
|
1 0.130520E+05 0.114600E-05
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||
|
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2 0.297061E+04 -0.421990E-05
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||
|
|
3 0.841460E+03 0.174874E-04
|
||
|
|
4 0.274589E+03 -0.323088E-03
|
||
|
|
5 0.992150E+02 -0.143991E-02
|
||
|
|
6 0.386940E+02 -0.136312E-01
|
||
|
|
7 0.159109E+02 -0.730891E-01
|
||
|
|
8 0.676677E+01 -0.173757E+00
|
||
|
|
9 0.289837E+01 -0.500000E+00
|
||
|
|
S 1
|
||
|
|
1 0.112459E+01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.514464E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.211760E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.850172E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.316050E-01 1.0000000
|
||
|
|
P 3
|
||
|
|
1 0.963557E+03 0.296204E-02
|
||
|
|
2 0.148240E+03 0.572481E-01
|
||
|
|
3 0.349117E+02 0.500000E+00
|
||
|
|
P 1
|
||
|
|
1 0.108936E+02 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.419336E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.171343E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.735662E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.316374E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.132416E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.519006E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.188730E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.520000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.135000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.520000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.200000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.566190E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.150000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.650000E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.754920E-01 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.140000E+01 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.943650E-01 1.0000000
|
||
|
|
|
||
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|
NITROGEN
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||
|
|
S 9
|
||
|
|
1 0.124546E+06 0.469599E-04
|
||
|
|
2 0.186556E+05 0.367275E-03
|
||
|
|
3 0.424506E+04 0.191068E-02
|
||
|
|
4 0.120210E+04 0.811034E-02
|
||
|
|
5 0.392142E+03 0.284009E-01
|
||
|
|
6 0.141580E+03 0.882763E-01
|
||
|
|
7 0.551359E+02 0.216128E+00
|
||
|
|
8 0.226432E+02 0.419121E+00
|
||
|
|
9 0.965655E+01 0.500000E+00
|
||
|
|
S 8
|
||
|
|
1 0.424506E+04 -0.260460E-05
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||
|
|
2 0.120210E+04 -0.281860E-05
|
||
|
|
3 0.392142E+03 -0.262465E-03
|
||
|
|
4 0.141580E+03 -0.171249E-02
|
||
|
|
5 0.551359E+02 -0.126816E-01
|
||
|
|
6 0.226432E+02 -0.746171E-01
|
||
|
|
7 0.965655E+01 -0.180539E+00
|
||
|
|
8 0.416854E+01 -0.500000E+00
|
||
|
|
S 1
|
||
|
|
1 0.166780E+01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.745736E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.305157E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.120888E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.444440E-01 1.0000000
|
||
|
|
P 3
|
||
|
|
1 0.141886E+04 0.290892E-02
|
||
|
|
2 0.218287E+03 0.574590E-01
|
||
|
|
3 0.514884E+02 0.500000E+00
|
||
|
|
P 1
|
||
|
|
1 0.161303E+02 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.613074E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.250523E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.107298E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.458381E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.189481E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.733589E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.263880E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.600000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.165000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.650000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.250000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.791640E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.180000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.770000E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.105550E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.150000E+01 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.131940E+00 1.0000000
|
||
|
|
|
||
|
|
OXYGEN
|
||
|
|
S 9
|
||
|
|
1 0.164030E+06 0.489854E-04
|
||
|
|
2 0.245674E+05 0.383632E-03
|
||
|
|
3 0.559105E+04 0.199129E-02
|
||
|
|
4 0.158362E+04 0.847087E-02
|
||
|
|
5 0.516670E+03 0.295633E-01
|
||
|
|
6 0.186555E+03 0.922940E-01
|
||
|
|
7 0.726960E+02 0.224536E+00
|
||
|
|
8 0.299924E+02 0.435629E+00
|
||
|
|
9 0.128992E+02 0.500000E+00
|
||
|
|
S 9
|
||
|
|
1 0.245674E+05 0.122410E-05
|
||
|
|
2 0.559105E+04 -0.438730E-05
|
||
|
|
3 0.158362E+04 0.201850E-04
|
||
|
|
4 0.516670E+03 -0.328060E-03
|
||
|
|
5 0.186555E+03 -0.140006E-02
|
||
|
|
6 0.726960E+02 -0.142184E-01
|
||
|
|
7 0.299924E+02 -0.721931E-01
|
||
|
|
8 0.128992E+02 -0.197752E+00
|
||
|
|
9 0.561355E+01 -0.500000E+00
|
||
|
|
S 1
|
||
|
|
1 0.229864E+01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.999797E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.407461E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.159225E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.576900E-01 1.0000000
|
||
|
|
P 3
|
||
|
|
1 0.176812E+04 0.292287E-02
|
||
|
|
2 0.272018E+03 0.569155E-01
|
||
|
|
3 0.642425E+02 0.500000E+00
|
||
|
|
P 1
|
||
|
|
1 0.202494E+02 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.764384E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.312320E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.132510E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.555508E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.222286E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.840097E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.294770E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.700000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.200000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.800000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.300000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.884310E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.210000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.900000E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.117910E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.160000E+01 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.147390E+00 1.0000000
|
||
|
|
|
||
|
|
FLUORINE
|
||
|
|
S 9
|
||
|
|
1 0.215659E+06 0.492610E-04
|
||
|
|
2 0.322991E+05 0.385931E-03
|
||
|
|
3 0.735044E+04 0.200245E-02
|
||
|
|
4 0.208182E+04 0.852627E-02
|
||
|
|
5 0.679087E+03 0.297615E-01
|
||
|
|
6 0.245100E+03 0.932780E-01
|
||
|
|
7 0.954615E+02 0.227793E+00
|
||
|
|
8 0.394224E+02 0.445779E+00
|
||
|
|
9 0.170182E+02 0.500000E+00
|
||
|
|
S 9
|
||
|
|
1 0.322991E+05 0.141360E-05
|
||
|
|
2 0.735044E+04 -0.479530E-05
|
||
|
|
3 0.208182E+04 0.269255E-04
|
||
|
|
4 0.679087E+03 -0.338123E-03
|
||
|
|
5 0.245100E+03 -0.124306E-02
|
||
|
|
6 0.954615E+02 -0.145129E-01
|
||
|
|
7 0.394224E+02 -0.690386E-01
|
||
|
|
8 0.170182E+02 -0.210270E+00
|
||
|
|
9 0.745246E+01 -0.500000E+00
|
||
|
|
S 1
|
||
|
|
1 0.313290E+01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.133946E+01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.542183E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.209037E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.749240E-01 1.0000000
|
||
|
|
P 3
|
||
|
|
1 0.228290E+04 0.290267E-02
|
||
|
|
2 0.351216E+03 0.568020E-01
|
||
|
|
3 0.829778E+02 0.500000E+00
|
||
|
|
P 1
|
||
|
|
1 0.262671E+02 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.993065E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.406700E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.172462E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.719760E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.286244E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.107890E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.378560E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.840000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.260000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.100000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.350000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.113570E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.260000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.105000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.151420E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.170000E+01 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.189280E+00 1.0000000
|
||
|
|
|
||
|
|
NEON
|
||
|
|
S 9
|
||
|
|
1 0.270664E+06 0.511788E-04
|
||
|
|
2 0.405414E+05 0.400998E-03
|
||
|
|
3 0.922653E+04 0.207984E-02
|
||
|
|
4 0.261317E+04 0.886028E-02
|
||
|
|
5 0.852388E+03 0.309116E-01
|
||
|
|
6 0.307607E+03 0.970790E-01
|
||
|
|
7 0.119758E+03 0.237094E+00
|
||
|
|
8 0.494369E+02 0.467681E+00
|
||
|
|
9 0.213685E+02 0.500000E+00
|
||
|
|
S 9
|
||
|
|
1 0.405414E+05 0.168090E-05
|
||
|
|
2 0.922653E+04 -0.549250E-05
|
||
|
|
3 0.261317E+04 0.353842E-04
|
||
|
|
4 0.852388E+03 -0.366041E-03
|
||
|
|
5 0.307607E+03 -0.112353E-02
|
||
|
|
6 0.119758E+03 -0.154947E-01
|
||
|
|
7 0.494369E+02 -0.681049E-01
|
||
|
|
8 0.213685E+02 -0.230299E+00
|
||
|
|
9 0.939206E+01 -0.500000E+00
|
||
|
|
S 1
|
||
|
|
1 0.398322E+01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.168867E+01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.680305E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.260241E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.924800E-01 1.0000000
|
||
|
|
P 3
|
||
|
|
1 0.288244E+04 0.289029E-02
|
||
|
|
2 0.443452E+03 0.561890E-01
|
||
|
|
3 0.104816E+03 0.500000E+00
|
||
|
|
P 1
|
||
|
|
1 0.332550E+02 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.125479E+02 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.514211E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.217829E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.906445E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.359944E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.135148E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.472100E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.100000E+02 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.300000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.115000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.400000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.141600E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.280000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.115000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.188800E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.180000E+01 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.236000E+00 1.0000000
|
||
|
|
|
||
|
|
SODIUM
|
||
|
|
S 11
|
||
|
|
1 0.421841E+06 0.263943E-04
|
||
|
|
2 0.631884E+05 0.205760E-03
|
||
|
|
3 0.143813E+05 0.107634E-02
|
||
|
|
4 0.407369E+04 0.455358E-02
|
||
|
|
5 0.132912E+04 0.162515E-01
|
||
|
|
6 0.479986E+03 0.515092E-01
|
||
|
|
7 0.187364E+03 0.137364E+00
|
||
|
|
8 0.777698E+02 0.307608E+00
|
||
|
|
9 0.337986E+02 0.500000E+00
|
||
|
|
10 0.151269E+02 0.453083E+00
|
||
|
|
11 0.693197E+01 0.178567E+00
|
||
|
|
S 11
|
||
|
|
1 0.631884E+05 -0.600130E-05
|
||
|
|
2 0.143813E+05 0.144156E-04
|
||
|
|
3 0.407369E+04 -0.204884E-03
|
||
|
|
4 0.132912E+04 0.384832E-03
|
||
|
|
5 0.479986E+03 -0.406338E-02
|
||
|
|
6 0.187364E+03 0.209224E-02
|
||
|
|
7 0.777698E+02 -0.680934E-01
|
||
|
|
8 0.337986E+02 -0.287909E-01
|
||
|
|
9 0.151269E+02 -0.500000E+00
|
||
|
|
10 0.693197E+01 0.394745E+00
|
||
|
|
11 0.276505E+01 -0.456828E+00
|
||
|
|
S 10
|
||
|
|
1 0.407369E+04 -0.191590E-05
|
||
|
|
2 0.132912E+04 -0.225021E-04
|
||
|
|
3 0.479986E+03 -0.202930E-03
|
||
|
|
4 0.187364E+03 -0.131116E-02
|
||
|
|
5 0.777698E+02 -0.828269E-02
|
||
|
|
6 0.337986E+02 -0.260568E-01
|
||
|
|
7 0.151269E+02 -0.753114E-01
|
||
|
|
8 0.693197E+01 -0.190045E-01
|
||
|
|
9 0.276505E+01 0.304794E+00
|
||
|
|
10 0.113973E+01 0.500000E+00
|
||
|
|
S 1
|
||
|
|
1 0.452130E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.826028E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.415100E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.186176E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.765800E-02 1.0000000
|
||
|
|
P 6
|
||
|
|
1 0.751948E+04 0.394744E-04
|
||
|
|
2 0.115684E+04 0.922853E-03
|
||
|
|
3 0.274423E+03 0.743951E-02
|
||
|
|
4 0.891393E+02 0.443972E-01
|
||
|
|
5 0.332587E+02 0.178439E+00
|
||
|
|
6 0.135574E+02 0.500000E+00
|
||
|
|
P 1
|
||
|
|
1 0.596244E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.268243E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.119711E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.517889E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.213312E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.100000E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.370000E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.123300E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.910000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.190000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.306300E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.270000E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.382900E-01 1.0000000
|
||
|
|
|
||
|
|
MAGNESIUM
|
||
|
|
S 11
|
||
|
|
1 0.564794E+06 0.186218E-04
|
||
|
|
2 0.845886E+05 0.146004E-03
|
||
|
|
3 0.192509E+05 0.757901E-03
|
||
|
|
4 0.545280E+04 0.324426E-02
|
||
|
|
5 0.177909E+04 0.114570E-01
|
||
|
|
6 0.642576E+03 0.372382E-01
|
||
|
|
7 0.250920E+03 0.992336E-01
|
||
|
|
8 0.104191E+03 0.239942E+00
|
||
|
|
9 0.452753E+02 0.407188E+00
|
||
|
|
10 0.203178E+02 0.500000E+00
|
||
|
|
11 0.933193E+01 0.151997E+00
|
||
|
|
S 11
|
||
|
|
1 0.845886E+05 0.400190E-05
|
||
|
|
2 0.192509E+05 -0.881650E-05
|
||
|
|
3 0.545280E+04 0.139030E-03
|
||
|
|
4 0.177909E+04 -0.206575E-03
|
||
|
|
5 0.642576E+03 0.304001E-02
|
||
|
|
6 0.250920E+03 0.107581E-02
|
||
|
|
7 0.104191E+03 0.602944E-01
|
||
|
|
8 0.452753E+02 0.780008E-01
|
||
|
|
9 0.203178E+02 0.500000E+00
|
||
|
|
10 0.933193E+01 -0.127381E+00
|
||
|
|
11 0.369776E+01 -0.575785E-01
|
||
|
|
S 10
|
||
|
|
1 0.545280E+04 0.142970E-05
|
||
|
|
2 0.177909E+04 0.169712E-04
|
||
|
|
3 0.642576E+03 0.152910E-03
|
||
|
|
4 0.250920E+03 0.100407E-02
|
||
|
|
5 0.104191E+03 0.639593E-02
|
||
|
|
6 0.452753E+02 0.222122E-01
|
||
|
|
7 0.203178E+02 0.648542E-01
|
||
|
|
8 0.933193E+01 0.412665E-01
|
||
|
|
9 0.369776E+01 -0.260716E+00
|
||
|
|
10 0.157246E+01 -0.500000E+00
|
||
|
|
S 1
|
||
|
|
1 0.649493E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.159014E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.716654E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.299418E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.115500E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 0.985970E+04 0.380781E-04
|
||
|
|
2 0.151688E+04 0.871451E-03
|
||
|
|
3 0.359786E+03 0.718883E-02
|
||
|
|
4 0.116761E+03 0.426594E-01
|
||
|
|
5 0.435798E+02 0.175762E+00
|
||
|
|
6 0.179261E+02 0.500000E+00
|
||
|
|
P 1
|
||
|
|
1 0.793564E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.360378E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.164413E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.741124E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.316660E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.149000E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.550000E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.183300E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.120000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.250000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.461900E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.330000E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.577450E-01 1.0000000
|
||
|
|
|
||
|
|
ALUMINUM
|
||
|
|
S 11
|
||
|
|
1 0.721495E+06 0.233613E-04
|
||
|
|
2 0.108090E+06 0.180814E-03
|
||
|
|
3 0.246053E+05 0.955473E-03
|
||
|
|
4 0.697136E+04 0.398823E-02
|
||
|
|
5 0.227488E+04 0.145064E-01
|
||
|
|
6 0.821595E+03 0.451816E-01
|
||
|
|
7 0.320775E+03 0.125711E+00
|
||
|
|
8 0.133150E+03 0.276307E+00
|
||
|
|
9 0.578165E+02 0.500000E+00
|
||
|
|
10 0.259536E+02 0.412395E+00
|
||
|
|
11 0.118993E+02 0.305239E+00
|
||
|
|
S 11
|
||
|
|
1 0.108090E+06 -0.368540E-05
|
||
|
|
2 0.246053E+05 0.884710E-05
|
||
|
|
3 0.697136E+04 -0.128985E-03
|
||
|
|
4 0.227488E+04 0.205361E-03
|
||
|
|
5 0.821595E+03 -0.282267E-02
|
||
|
|
6 0.320775E+03 -0.884088E-03
|
||
|
|
7 0.133150E+03 -0.564498E-01
|
||
|
|
8 0.578165E+02 -0.799476E-01
|
||
|
|
9 0.259536E+02 -0.500000E+00
|
||
|
|
10 0.118993E+02 0.605296E-01
|
||
|
|
11 0.474985E+01 -0.834526E-01
|
||
|
|
S 10
|
||
|
|
1 0.697136E+04 0.117510E-05
|
||
|
|
2 0.227488E+04 0.140602E-04
|
||
|
|
3 0.821595E+03 0.126336E-03
|
||
|
|
4 0.320775E+03 0.844533E-03
|
||
|
|
5 0.133150E+03 0.537973E-02
|
||
|
|
6 0.578165E+02 0.200469E-01
|
||
|
|
7 0.259536E+02 0.593474E-01
|
||
|
|
8 0.118993E+02 0.527704E-01
|
||
|
|
9 0.474985E+01 -0.226692E+00
|
||
|
|
10 0.206880E+01 -0.500000E+00
|
||
|
|
S 1
|
||
|
|
1 0.877791E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.249508E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.114618E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.481927E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.186900E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 0.131283E+05 0.149157E-03
|
||
|
|
2 0.201974E+04 0.193037E-02
|
||
|
|
3 0.478633E+03 0.250630E-01
|
||
|
|
4 0.155019E+03 0.822927E-01
|
||
|
|
5 0.579042E+02 0.500000E+00
|
||
|
|
6 0.241400E+02 -0.129808E+00
|
||
|
|
P 6
|
||
|
|
1 0.201974E+04 0.143969E-03
|
||
|
|
2 0.478633E+03 0.329730E-03
|
||
|
|
3 0.155019E+03 0.868929E-02
|
||
|
|
4 0.579042E+02 0.211248E-01
|
||
|
|
5 0.241400E+02 0.222237E+00
|
||
|
|
6 0.107894E+02 0.500000E+00
|
||
|
|
P 1
|
||
|
|
1 0.497298E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.231607E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.107906E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.491590E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.204824E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.792561E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.289276E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.983900E-02 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.560000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.147000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.440000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.160000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.295200E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.960000E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.320000E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.393600E-01 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.580000E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.492000E-01 1.0000000
|
||
|
|
|
||
|
|
SILICON
|
||
|
|
S 11
|
||
|
|
1 0.877445E+06 0.224711E-04
|
||
|
|
2 0.131448E+06 0.174160E-03
|
||
|
|
3 0.299289E+05 0.918117E-03
|
||
|
|
4 0.848016E+04 0.384477E-02
|
||
|
|
5 0.276723E+04 0.139440E-01
|
||
|
|
6 0.999396E+03 0.437430E-01
|
||
|
|
7 0.390144E+03 0.121738E+00
|
||
|
|
8 0.161910E+03 0.273867E+00
|
||
|
|
9 0.703042E+02 0.500000E+00
|
||
|
|
10 0.315787E+02 0.460234E+00
|
||
|
|
11 0.144804E+02 0.313266E+00
|
||
|
|
S 11
|
||
|
|
1 0.131448E+06 -0.313810E-05
|
||
|
|
2 0.299289E+05 0.751760E-05
|
||
|
|
3 0.848016E+04 -0.110946E-03
|
||
|
|
4 0.276723E+04 0.163264E-03
|
||
|
|
5 0.999396E+03 -0.251963E-02
|
||
|
|
6 0.390144E+03 -0.155500E-02
|
||
|
|
7 0.161910E+03 -0.533043E-01
|
||
|
|
8 0.703042E+02 -0.902218E-01
|
||
|
|
9 0.315787E+02 -0.500000E+00
|
||
|
|
10 0.144804E+02 -0.873051E-04
|
||
|
|
11 0.583828E+01 -0.130065E+00
|
||
|
|
S 10
|
||
|
|
1 0.848016E+04 -0.108210E-05
|
||
|
|
2 0.276723E+04 -0.129459E-04
|
||
|
|
3 0.999396E+03 -0.116268E-03
|
||
|
|
4 0.390144E+03 -0.787130E-03
|
||
|
|
5 0.161910E+03 -0.499726E-02
|
||
|
|
6 0.703042E+02 -0.193277E-01
|
||
|
|
7 0.315787E+02 -0.579310E-01
|
||
|
|
8 0.144804E+02 -0.581071E-01
|
||
|
|
9 0.583828E+01 0.207481E+00
|
||
|
|
10 0.259465E+01 0.500000E+00
|
||
|
|
S 1
|
||
|
|
1 0.112498E+01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.353562E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.161600E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.672611E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.261050E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 0.149703E+05 -0.387531E-04
|
||
|
|
2 0.230312E+04 -0.134854E-02
|
||
|
|
3 0.545845E+03 -0.800285E-02
|
||
|
|
4 0.177054E+03 -0.618199E-01
|
||
|
|
5 0.663775E+02 -0.167117E+00
|
||
|
|
6 0.276011E+02 -0.500000E+00
|
||
|
|
P 6
|
||
|
|
1 0.230312E+04 -0.192467E-03
|
||
|
|
2 0.545845E+03 -0.265519E-03
|
||
|
|
3 0.177054E+03 -0.739838E-02
|
||
|
|
4 0.663775E+02 0.545032E-02
|
||
|
|
5 0.276011E+02 0.128877E-01
|
||
|
|
6 0.123430E+02 0.500000E+00
|
||
|
|
P 1
|
||
|
|
1 0.568939E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.264060E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.120944E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.520126E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.232558E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.981411E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.383603E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.145600E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.666000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.175000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.520000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.190000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.436800E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.115000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.380000E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.582400E-01 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.650000E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.728000E-01 1.0000000
|
||
|
|
|
||
|
|
PHOSPHORUS
|
||
|
|
S 11
|
||
|
|
1 0.106369E+07 0.208566E-04
|
||
|
|
2 0.160001E+06 0.160935E-03
|
||
|
|
3 0.365133E+05 0.845626E-03
|
||
|
|
4 0.103592E+05 0.354370E-02
|
||
|
|
5 0.338283E+04 0.128329E-01
|
||
|
|
6 0.122229E+04 0.404562E-01
|
||
|
|
7 0.477305E+03 0.113062E+00
|
||
|
|
8 0.198087E+03 0.260164E+00
|
||
|
|
9 0.859940E+02 0.486206E+00
|
||
|
|
10 0.386272E+02 0.500000E+00
|
||
|
|
11 0.176880E+02 0.331857E+00
|
||
|
|
S 11
|
||
|
|
1 0.160001E+06 -0.301870E-05
|
||
|
|
2 0.365133E+05 0.733550E-05
|
||
|
|
3 0.103592E+05 -0.106263E-03
|
||
|
|
4 0.338283E+04 0.159888E-03
|
||
|
|
5 0.122229E+04 -0.239691E-02
|
||
|
|
6 0.477305E+03 -0.141952E-02
|
||
|
|
7 0.198087E+03 -0.507104E-01
|
||
|
|
8 0.859940E+02 -0.901231E-01
|
||
|
|
9 0.386272E+02 -0.500000E+00
|
||
|
|
10 0.176880E+02 -0.487742E-01
|
||
|
|
11 0.725513E+01 -0.232238E+00
|
||
|
|
S 9
|
||
|
|
1 0.338283E+04 -0.114759E-04
|
||
|
|
2 0.122229E+04 -0.102469E-03
|
||
|
|
3 0.477305E+03 -0.703135E-03
|
||
|
|
4 0.198087E+03 -0.445288E-02
|
||
|
|
5 0.859940E+02 -0.180283E-01
|
||
|
|
6 0.386272E+02 -0.549625E-01
|
||
|
|
7 0.176880E+02 -0.652944E-01
|
||
|
|
8 0.725513E+01 0.178457E+00
|
||
|
|
9 0.326989E+01 0.500000E+00
|
||
|
|
S 1
|
||
|
|
1 0.143127E+01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.470467E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.212895E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.877424E-01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.334080E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 0.179542E+05 -0.297963E-04
|
||
|
|
2 0.276218E+04 -0.120062E-02
|
||
|
|
3 0.654784E+03 -0.645186E-02
|
||
|
|
4 0.212581E+03 -0.555502E-01
|
||
|
|
5 0.798946E+02 -0.135970E+00
|
||
|
|
6 0.333660E+02 -0.500000E+00
|
||
|
|
P 6
|
||
|
|
1 0.276218E+04 -0.277223E-03
|
||
|
|
2 0.654784E+03 -0.418217E-03
|
||
|
|
3 0.212581E+03 -0.115172E-01
|
||
|
|
4 0.798946E+02 0.143125E-02
|
||
|
|
5 0.333660E+02 -0.446617E-01
|
||
|
|
6 0.149865E+02 0.500000E+00
|
||
|
|
P 1
|
||
|
|
1 0.696804E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.328178E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.152471E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.669237E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.299291E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.128110E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.509917E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.188000E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.771000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.203000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.600000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.220000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.563990E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.134000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.450000E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.751990E-01 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.720000E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.939990E-01 1.0000000
|
||
|
|
|
||
|
|
SULFUR
|
||
|
|
S 11
|
||
|
|
1 0.125044E+07 0.203141E-04
|
||
|
|
2 0.188077E+06 0.156759E-03
|
||
|
|
3 0.429181E+05 0.823798E-03
|
||
|
|
4 0.121790E+05 0.344991E-02
|
||
|
|
5 0.397874E+04 0.124920E-01
|
||
|
|
6 0.143814E+04 0.393840E-01
|
||
|
|
7 0.561672E+03 0.110355E+00
|
||
|
|
8 0.233113E+03 0.254921E+00
|
||
|
|
9 0.101218E+03 0.479720E+00
|
||
|
|
10 0.454926E+02 0.500000E+00
|
||
|
|
11 0.208467E+02 0.339619E+00
|
||
|
|
S 11
|
||
|
|
1 0.188077E+06 -0.257450E-05
|
||
|
|
2 0.429181E+05 0.630610E-05
|
||
|
|
3 0.121790E+05 -0.918794E-04
|
||
|
|
4 0.397874E+04 0.126450E-03
|
||
|
|
5 0.143814E+04 -0.216056E-02
|
||
|
|
6 0.561672E+03 -0.197726E-02
|
||
|
|
7 0.233113E+03 -0.483575E-01
|
||
|
|
8 0.101218E+03 -0.983565E-01
|
||
|
|
9 0.454926E+02 -0.500000E+00
|
||
|
|
10 0.208467E+02 -0.103291E+00
|
||
|
|
11 0.864916E+01 -0.238417E+00
|
||
|
|
S 9
|
||
|
|
1 0.397874E+04 -0.109650E-04
|
||
|
|
2 0.143814E+04 -0.978391E-04
|
||
|
|
3 0.561672E+03 -0.676833E-03
|
||
|
|
4 0.233113E+03 -0.427476E-02
|
||
|
|
5 0.101218E+03 -0.177007E-01
|
||
|
|
6 0.454926E+02 -0.546072E-01
|
||
|
|
7 0.208467E+02 -0.689008E-01
|
||
|
|
8 0.864916E+01 0.164035E+00
|
||
|
|
9 0.394558E+01 0.500000E+00
|
||
|
|
S 1
|
||
|
|
1 0.174718E+01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.599527E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.271272E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.110799E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.418370E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 0.213577E+05 0.316137E-04
|
||
|
|
2 0.328580E+04 0.120835E-02
|
||
|
|
3 0.778928E+03 0.673616E-02
|
||
|
|
4 0.252759E+03 0.563166E-01
|
||
|
|
5 0.950996E+02 0.139992E+00
|
||
|
|
6 0.398205E+02 0.500000E+00
|
||
|
|
P 6
|
||
|
|
1 0.328580E+04 0.241680E-03
|
||
|
|
2 0.778928E+03 0.355206E-03
|
||
|
|
3 0.252759E+03 0.998300E-02
|
||
|
|
4 0.950996E+02 -0.374279E-02
|
||
|
|
5 0.398205E+02 0.251236E-01
|
||
|
|
6 0.179253E+02 -0.500000E+00
|
||
|
|
P 1
|
||
|
|
1 0.836991E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.396547E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.185395E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.819709E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.361168E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.150974E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.596196E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.218200E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.876000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.230000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.680000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.250000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.654610E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.153000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.510000E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.872820E-01 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.790000E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.109100E+00 1.0000000
|
||
|
|
|
||
|
|
CHLORINE
|
||
|
|
S 11
|
||
|
|
1 0.146109E+07 0.212141E-04
|
||
|
|
2 0.219593E+06 0.163763E-03
|
||
|
|
3 0.500849E+05 0.861956E-03
|
||
|
|
4 0.142058E+05 0.360734E-02
|
||
|
|
5 0.463895E+04 0.130871E-01
|
||
|
|
6 0.167635E+04 0.411727E-01
|
||
|
|
7 0.654515E+03 0.115687E+00
|
||
|
|
8 0.271526E+03 0.265840E+00
|
||
|
|
9 0.117867E+03 0.499684E+00
|
||
|
|
10 0.529838E+02 0.500000E+00
|
||
|
|
11 0.242916E+02 0.350634E+00
|
||
|
|
S 11
|
||
|
|
1 0.219593E+06 0.196850E-05
|
||
|
|
2 0.500849E+05 -0.485340E-05
|
||
|
|
3 0.142058E+05 0.723477E-04
|
||
|
|
4 0.463895E+04 -0.788552E-04
|
||
|
|
5 0.167635E+04 0.185232E-02
|
||
|
|
6 0.654515E+03 0.281361E-02
|
||
|
|
7 0.271526E+03 0.456709E-01
|
||
|
|
8 0.117867E+03 0.110765E+00
|
||
|
|
9 0.529838E+02 0.500000E+00
|
||
|
|
10 0.242916E+02 0.180727E+00
|
||
|
|
11 0.101841E+02 0.186311E+00
|
||
|
|
S 9
|
||
|
|
1 0.463895E+04 0.105237E-04
|
||
|
|
2 0.167635E+04 0.941850E-04
|
||
|
|
3 0.654515E+03 0.656250E-03
|
||
|
|
4 0.271526E+03 0.414268E-02
|
||
|
|
5 0.117867E+03 0.174947E-01
|
||
|
|
6 0.529838E+02 0.546244E-01
|
||
|
|
7 0.242916E+02 0.723392E-01
|
||
|
|
8 0.101841E+02 -0.151290E+00
|
||
|
|
9 0.469284E+01 -0.500000E+00
|
||
|
|
S 1
|
||
|
|
1 0.209736E+01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.748674E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.336135E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.135729E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.507110E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 0.249969E+05 0.308605E-04
|
||
|
|
2 0.384568E+04 0.118236E-02
|
||
|
|
3 0.911226E+03 0.659700E-02
|
||
|
|
4 0.295641E+03 0.554922E-01
|
||
|
|
5 0.111403E+03 0.136093E+00
|
||
|
|
6 0.467674E+02 0.500000E+00
|
||
|
|
P 6
|
||
|
|
1 0.384568E+04 0.240272E-03
|
||
|
|
2 0.911226E+03 0.354577E-03
|
||
|
|
3 0.295641E+03 0.100392E-01
|
||
|
|
4 0.111403E+03 -0.413212E-02
|
||
|
|
5 0.467674E+02 0.274433E-01
|
||
|
|
6 0.211061E+02 -0.500000E+00
|
||
|
|
P 1
|
||
|
|
1 0.990577E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.473468E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.223643E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.100711E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.443689E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.184880E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.732679E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.269040E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.981000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.258000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.760000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.280000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.807110E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.172000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.570000E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.107610E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.860000E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.134520E+00 1.0000000
|
||
|
|
|
||
|
|
ARGON
|
||
|
|
S 11
|
||
|
|
1 0.170216E+07 0.227354E-04
|
||
|
|
2 0.254909E+06 0.175972E-03
|
||
|
|
3 0.580115E+05 0.930637E-03
|
||
|
|
4 0.164313E+05 0.388498E-02
|
||
|
|
5 0.536050E+04 0.141535E-01
|
||
|
|
6 0.193540E+04 0.441689E-01
|
||
|
|
7 0.755086E+03 0.124090E+00
|
||
|
|
8 0.313082E+03 0.275511E+00
|
||
|
|
9 0.135883E+03 0.500000E+00
|
||
|
|
10 0.610919E+02 0.380851E+00
|
||
|
|
11 0.280236E+02 0.277256E+00
|
||
|
|
S 11
|
||
|
|
1 0.254909E+06 0.139530E-05
|
||
|
|
2 0.580115E+05 -0.272750E-05
|
||
|
|
3 0.164313E+05 0.528733E-04
|
||
|
|
4 0.536050E+04 -0.176953E-04
|
||
|
|
5 0.193540E+04 0.154066E-02
|
||
|
|
6 0.755086E+03 0.384249E-02
|
||
|
|
7 0.313082E+03 0.430505E-01
|
||
|
|
8 0.135883E+03 0.125307E+00
|
||
|
|
9 0.610919E+02 0.500000E+00
|
||
|
|
10 0.280236E+02 0.271692E+00
|
||
|
|
11 0.118596E+02 0.100794E+00
|
||
|
|
S 9
|
||
|
|
1 0.536050E+04 0.103656E-04
|
||
|
|
2 0.193540E+04 0.923587E-04
|
||
|
|
3 0.755086E+03 0.649761E-03
|
||
|
|
4 0.313082E+03 0.409307E-02
|
||
|
|
5 0.135883E+03 0.175757E-01
|
||
|
|
6 0.610919E+02 0.554651E-01
|
||
|
|
7 0.280236E+02 0.761615E-01
|
||
|
|
8 0.118596E+02 -0.140251E+00
|
||
|
|
9 0.551166E+01 -0.500000E+00
|
||
|
|
S 1
|
||
|
|
1 0.248217E+01 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.917608E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.407031E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.162384E+00 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.599900E-01 1.0000000
|
||
|
|
P 6
|
||
|
|
1 0.287006E+05 0.278996E-04
|
||
|
|
2 0.441547E+04 0.112211E-02
|
||
|
|
3 0.104630E+04 0.606360E-02
|
||
|
|
4 0.339536E+03 0.529912E-01
|
||
|
|
5 0.128103E+03 0.125221E+00
|
||
|
|
6 0.538230E+02 0.500000E+00
|
||
|
|
P 6
|
||
|
|
1 0.441547E+04 -0.265580E-03
|
||
|
|
2 0.104630E+04 -0.401532E-03
|
||
|
|
3 0.339536E+03 -0.113723E-01
|
||
|
|
4 0.128103E+03 0.294678E-02
|
||
|
|
5 0.538230E+02 -0.495016E-01
|
||
|
|
6 0.243068E+02 0.500000E+00
|
||
|
|
P 1
|
||
|
|
1 0.114402E+02 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.551320E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.263306E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.121091E+01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.534114E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.223141E+00 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.887920E-01 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.327300E-01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.108600E+02 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.286000E+01 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.840000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.310000E+00 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.981900E-01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.191000E+01 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.630000E+00 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.130900E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.930000E+00 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.163600E+00 1.0000000
|
||
|
|
|
||
|
|
|