331 lines
9.2 KiB
Plaintext
331 lines
9.2 KiB
Plaintext
!----------------------------------------------------------------------
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! Basis Set Exchange
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! Version 2.1.0+44.g1191679.dirty
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! https://www.basissetexchange.org
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!----------------------------------------------------------------------
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! Basis set: pV6Z
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! Description: V6Z5P Valence Sextuple Zeta + Polarization on All
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! Atoms
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! Role: orbital
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! Version: 0 (Data from the original Basis Set Exchange)
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!----------------------------------------------------------------------
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$DATA
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HYDROGEN
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S 10
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1 1776.77556 0.000044
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2 254.017712 0.000372
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3 54.6980390 0.002094
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4 15.0183440 0.008863
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5 4.91507800 0.030540
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6 1.79492400 0.090342
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7 0.71071600 0.213239
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8 0.30480200 0.352350
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9 0.13804600 0.339657
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10 0.06215700 0.107330
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S 1
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1 1.79492400 1.0
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S 1
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1 0.71071600 1.0
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S 1
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1 0.30480200 1.0
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S 1
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1 0.13804600 1.0
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S 1
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1 0.06215700 1.0
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P 1
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1 4.3950 1.000000
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P 1
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1 1.9950 1.000000
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P 1
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1 0.9060 1.000000
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P 1
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1 0.4110 1.0
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P 1
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1 0.1866 1.0
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D 1
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1 4.9740 1.000000
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D 1
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1 2.2150 1.000000
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D 1
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1 0.9860 1.000000
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D 1
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1 0.4390 1.0
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F 1
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1 3.6650 1.000000
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F 1
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1 1.6190 1.000000
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F 1
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1 0.7150 1.0
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G 1
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1 3.4480 1.0
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G 1
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1 1.3120 1.0
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H 1
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1 2.7580 1.0
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CARBON
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S 11
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1 312229.0 0.000006
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2 46749.69 0.000044
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3 10638.55 0.000232
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4 3013.287 0.000979
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5 983.0464 0.003550
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6 354.8877 0.011439
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7 138.4034 0.033002
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8 57.36184 0.083996
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9 24.92838 0.180684
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10 11.22964 0.304989
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11 5.201549 0.341288
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S 11
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1 312229.0 0.000001
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2 46749.69 0.000009
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3 10638.55 0.000049
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4 3013.287 0.000209
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5 983.0464 0.000760
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6 354.8877 0.002454
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7 138.4034 0.007202
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8 57.36184 0.018795
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9 24.92838 0.043249
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10 11.22964 0.082621
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11 5.201549 0.128518
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S 1
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1 2.426564 1.0
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S 1
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1 0.967344 1.0
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S 1
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1 0.445599 1.0
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S 1
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1 0.197122 1.0
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S 1
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1 0.086347 1.0
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P 6
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1 478.6415 0.000062
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2 113.4184 0.000537
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3 36.81623 0.002926
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4 13.96492 0.011503
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5 5.780787 0.035721
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6 2.543594 0.093120
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P 1
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1 1.173779 1.0
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P 1
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1 0.553675 1.0
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P 1
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1 0.262173 1.0
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P 1
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1 0.123617 1.0
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P 1
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1 0.056671 1.0
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D 1
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1 5.5584 1.000000
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D 1
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1 2.316000 1.000000
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D 1
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1 0.965000 1.0
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D 1
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1 0.402083 1.0
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D 1
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1 0.167535 1.0
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F 1
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1 2.862909 1.000000
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F 1
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1 1.192879 1.000000
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F 1
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1 0.497033 1.0
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F 1
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1 0.207097 1.0
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G 1
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1 3.126000 1.000000
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G 1
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1 1.340000 1.000000
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G 1
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1 0.558333 1.0
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H 1
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1 1.905510 1.000000
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H 1
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1 0.793962 1.0
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I 1
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1 1.50900 1.0
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NITROGEN
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S 11
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1 432381.1 0.000006
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2 64743.42 0.000043
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3 14733.70 0.000229
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4 4173.254 0.000965
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5 1361.477 0.003500
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6 491.5049 0.011284
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7 191.6857 0.032599
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8 79.45499 0.083230
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9 34.54968 0.179930
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10 15.58673 0.304955
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11 7.235444 0.341159
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S 11
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1 432381.1 0.000001
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2 64743.42 0.000010
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3 14733.70 0.000050
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4 4173.254 0.000213
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5 1361.477 0.000775
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6 491.5049 0.002504
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7 191.6857 0.007362
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8 79.45499 0.019286
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9 34.54968 0.044699
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10 15.58673 0.086048
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11 7.235444 0.133249
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S 1
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1 3.383739 1.0
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S 1
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1 1.369728 1.0
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S 1
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1 0.625089 1.0
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S 1
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1 0.274819 1.0
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S 1
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1 0.119209 1.0
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P 6
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1 673.5556 0.000064
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2 159.5845 0.000562
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3 51.80170 0.003085
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4 19.67343 0.012298
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5 8.175345 0.038625
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6 3.616131 0.099815
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P 1
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1 1.673414 1.0
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P 1
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1 0.789246 1.0
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P 1
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1 0.372339 1.0
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P 1
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1 0.174038 1.0
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P 1
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1 0.078681 1.0
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D 1
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1 7.678080 1.000000
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D 1
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1 3.199200 1.000000
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D 1
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1 1.333000 1.0
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D 1
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1 0.555417 1.0
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D 1
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1 0.231424 1.0
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F 1
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1 4.008073 1.000000
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F 1
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1 1.670030 1.000000
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F 1
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1 0.695846 1.0
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F 1
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1 0.289936 1.0
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G 1
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1 4.063200 1.000000
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G 1
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1 1.693000 1.000000
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G 1
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1 0.705417 1.0
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H 1
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1 2.779253 1.000000
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H 1
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1 1.158022 1.0
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I 1
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1 2.22200 1.0
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OXYGEN
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S 16
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1 570979.8 0.000006
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2 85496.90 0.000043
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3 19456.65 0.000227
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4 5511.030 0.000957
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5 1797.919 0.003472
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6 649.0677 0.011196
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7 253.1386 0.032375
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8 104.9379 0.082835
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9 45.65036 0.179668
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10 20.61762 0.305201
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11 9.586759 0.340889
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12 4.492510 0.177422
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13 1.836943 0.020470
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14 0.834803 -0.000959
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15 0.365722 0.001053
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16 0.157034 -0.000096
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S 16
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1 570979.8 -0.000001
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2 85496.90 -0.000010
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3 19456.65 -0.000051
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4 5511.030 -0.000217
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5 1797.919 -0.000791
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6 649.0677 -0.002559
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7 253.1386 -0.007530
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8 104.9379 -0.019782
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9 45.65036 -0.046086
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10 20.61762 -0.089189
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11 9.586759 -0.137550
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12 4.492510 -0.105108
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13 1.836943 0.144784
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14 0.834803 0.441600
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15 0.365722 0.444545
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16 0.157034 0.128232
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S 1
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1 4.492510 1.0
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S 1
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1 1.836943 1.0
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S 1
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1 0.834803 1.0
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S 1
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1 0.365722 1.0
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S 1
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1 0.157034 1.0
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P 10
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1 525.7638 0.000167
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2 124.6306 0.001433
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3 40.34300 0.007548
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4 15.17831 0.028601
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5 6.245039 0.084361
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6 2.732624 0.187427
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7 1.227200 0.297953
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8 0.549190 0.338623
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9 0.241776 0.247233
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10 0.102505 0.070024
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P 1
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1 2.732624 1.0
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P 1
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1 1.227200 1.0
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P 1
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1 0.549190 1.0
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P 1
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1 0.241776 1.0
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P 1
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1 0.102505 1.0
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D 1
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1 7.7002 1.000000
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D 1
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1 3.3625 1.000000
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D 1
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1 1.4684 1.0
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D 1
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1 0.6412 1.0
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D 1
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1 0.2800 1.0
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F 1
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1 6.2537 1.000000
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F 1
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1 2.7084 1.000000
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F 1
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1 1.1729 1.0
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F 1
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1 0.5080 1.0
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G 1
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1 5.0017 1.000000
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G 1
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1 2.1158 1.000000
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G 1
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1 0.8950 1.0
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H 1
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1 4.0207 1.000000
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H 1
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1 1.5530 1.0
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I 1
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1 2.60 1.0
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$END |