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mirror of https://github.com/pfloos/quack synced 2024-10-30 02:38:19 +01:00
QuAcK/mol/CC3_AVTZ/C3H8.xyz

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2024-09-02 11:35:39 +02:00
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C 0.0000 0.0000 0.0000
C 0.8495 1.2641 0.0000
C 0.8495 -1.2641 0.0000
H -0.6540 0.0000 -0.8757
H -0.6540 0.0000 0.8757
H 0.2313 2.1628 0.0000
H 0.2313 -2.1628 0.0000
H 1.4930 1.2972 -0.8818
H 1.4930 1.2972 0.8818
H 1.4930 -1.2972 0.8818
H 1.4930 -1.2972 -0.8818