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18 lines
992 B
Plaintext
18 lines
992 B
Plaintext
16
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Phthalazine,^1A_1,CC3,cc-pVTZ
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C 0.00000000 0.70094519 -0.03774450
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C 0.00000000 -0.70094519 -0.03774450
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C 0.00000000 1.40489400 -1.25781726
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C 0.00000000 -1.40489400 -1.25781726
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C 0.00000000 0.70650722 -2.44237044
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C 0.00000000 -0.70650722 -2.44237044
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C 0.00000000 1.32191744 1.23728687
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C 0.00000000 -1.32191744 1.23728687
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N 0.00000000 0.68568306 2.38220076
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N 0.00000000 -0.68568306 2.38220076
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H 0.00000000 2.48400773 -1.25016518
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H 0.00000000 -2.48400773 -1.25016518
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H 0.00000000 1.23583294 -3.38115273
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H 0.00000000 -1.23583294 -3.38115273
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H 0.00000000 2.40174044 1.30694165
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H 0.00000000 -2.40174044 1.30694165 |