mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-14 10:03:47 +01:00
732 lines
24 KiB
Plaintext
732 lines
24 KiB
Plaintext
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HYDROGEN
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S 8
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1 2762.5161400 0.0000220
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2 1211.8584400 0.0000060
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S 1
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S 1
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S 1
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S 1
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S 1
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S 1
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P 1
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P 1
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P 1
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H 1
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H 1
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I 1
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1 3.4140000 1.0000000
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CARBON
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S 12
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S 1
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1 3.8821720 1.0000000
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S 1
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1 1.9283340 1.0000000
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S 1
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1 0.8358060 1.0000000
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S 1
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1 0.3862910 1.0000000
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S 1
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1 0.1768600 1.0000000
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S 1
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P 6
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P 1
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P 1
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P 1
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D 1
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D 1
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1 3.6663000 1.0000000
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D 1
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1 1.6796000 1.0000000
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D 1
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1 0.7695000 1.0000000
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D 1
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1 0.3525000 1.0000000
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D 1
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F 1
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1 3.5134000 1.0000000
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F 1
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F 1
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F 1
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G 1
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G 1
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G 1
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G 1
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H 1
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H 1
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H 1
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I 1
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I 1
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K 1
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1 1.9560000 1.0000000
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NITROGEN
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S 12
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S 12
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S 1
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S 1
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S 1
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S 1
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S 1
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S 1
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1 0.1102710 1.0000000
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P 6
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G 1
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G 1
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I 1
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I 1
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K 1
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OXYGEN
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S 12
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S 12
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S 1
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S 1
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S 1
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P 6
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FLUORINE
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