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18
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*
* -18.198
*
SYMMETRY PM7
Ethane
I=12.0 IR=LLNBS82 HR=NIST H=-20.04,0.12
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.52453975 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.09584658 +1 111.3764475 +1 0.0000000 +0 2 1 0
H 1.09584658 +0 111.3764475 +0 120.0000000 +0 2 1 3
H 1.09584658 +0 111.3764475 +0 -120.0000000 +0 2 1 3
H 1.09584658 +0 111.3764475 +0 60.0000000 +0 1 2 3
H 1.09584658 +0 111.3764475 +0 180.0000000 +0 1 2 3
H 1.09584658 +0 111.3764475 +0 -60.0000000 +0 1 2 3
3 1 4 5 6 7 8
3 2 4 5 6 7 8
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