File: acetaldehyde.mop

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file content (14 lines) | stat: -rw-r--r-- 626 bytes parent folder | download | duplicates (3) 
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*
*   -41.130
*
 NOINTER NOXYZ PM7
Acetaldehyde
 DR=NLM1967 I=10.21 IR=LLNBS82 D=2.69 HR=C&P1970 H=-39.73
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.49846220 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.09799693 +1  111.3814698 +1    0.0000000 +0     2     1     0
  H     1.09814287 +1  111.3180172 +1  120.0831481 +1     2     1     3
  H     1.10088737 +1  111.7021989 +1 -120.0000508 +1     2     1     3
  H     1.09750371 +1  117.2113115 +1  -59.4808390 +1     1     2     3
  O     1.20552792 +1  122.1721077 +1  120.5255821 +1     1     2     3