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18 lines
992 B
Plaintext
18 lines
992 B
Plaintext
16
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Quinoxaline,^1A_1,CC3,cc-pVTZ
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C 0.00000000 0.70821660 0.02446929
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C 0.00000000 -0.70821660 0.02446929
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C 0.00000000 1.40400848 -1.20521415
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C 0.00000000 -1.40400848 -1.20521415
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C 0.00000000 0.70760487 -2.38697805
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C 0.00000000 -0.70760487 -2.38697805
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C 0.00000000 0.70876240 2.29011437
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C 0.00000000 -0.70876240 2.29011437
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N 0.00000000 1.42036382 1.18651665
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N 0.00000000 -1.42036382 1.18651665
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H 0.00000000 2.48139632 -1.17651215
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H 0.00000000 -2.48139632 -1.17651215
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H 0.00000000 1.23813120 -3.32517722
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H 0.00000000 -1.23813120 -3.32517722
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H 0.00000000 1.24552354 3.22807736
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H 0.00000000 -1.24552354 3.22807736 |