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quack/mol/con.xyz

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2020-10-12 14:30:00 +02:00
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\ce{CON},,CC3,aug-cc-pVTZ
C 0.00000000 0.00000000 -1.29152344
O 0.00000000 0.00000000 -0.10824635
N 0.00000000 0.00000000 1.23042072