17 lines
313 B
Plaintext
17 lines
313 B
Plaintext
CH4->CF4
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1 C-CF
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2 H-D 1 rCH
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3 H-D 1 rCH 2 109.5
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4 H-D 1 rCH 2 109.5 3 120.0
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5 H-D 1 rCH 2 109.5 3 -120.0
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6 FD- 1 rCF 2 109.5 3 -120.0
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7 FD- 1 rCF 2 109.5 3 120.0
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8 FD- 1 rCF 7 109.5 5 120.0
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9 FD- 1 rCF 7 109.5 5 -120.0
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rCH = 1.090
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rCF = 1.332
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CH4-CF4.ff
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