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QUESTDB_website/static/data/structures/QUEST5/naphthalene.xyz

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2020-09-01 18:12:16 +02:00
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2020-09-27 16:41:49 +02:00
Naphthalene,^1A_g,CC3/cc-pVTZ
2020-09-01 18:12:16 +02:00
C 0.00000000 0.70909494 0.00000000
C 0.00000000 -0.70909494 0.00000000
C 1.23710973 1.39618950 0.00000000
C -1.23710973 1.39618950 0.00000000
C 1.23710973 -1.39618950 0.00000000
C -1.23710973 -1.39618950 0.00000000
C 2.42344619 0.70691221 0.00000000
C -2.42344619 0.70691221 0.00000000
C 2.42344619 -0.70691221 0.00000000
C -2.42344619 -0.70691221 0.00000000
H 1.23239147 2.47628164 0.00000000
H -1.23239147 2.47628164 0.00000000
H 1.23239147 -2.47628164 0.00000000
H -1.23239147 -2.47628164 0.00000000
H 3.35966148 1.24119417 0.00000000
H -3.35966148 1.24119417 0.00000000
H 3.35966148 -1.24119417 0.00000000
H -3.35966148 -1.24119417 0.00000000