PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

furanr    761 Furan (Geo)

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    #  Species Formula
   751 Acrolein (Geo)C3H4O
   752 AcetoneC3H6O
   753 Acetone (Geo)C3H6O
   754 PropanalC3H6O
   755 Trimethylene oxideC3H6O
   756 IsopropanolC3H8O
   757 Methyl ethyl etherC3H8O
   758 PropanolC3H8O
   759 Acetyl acetyleneC4H4O
   760 FuranC4H4O
   761 Furan (Geo) C4H4O
   762 2,3-DihydrofuranC4H6O
   763 CrotonaldehydeC4H6O
   764 Divinyl etherC4H6O
   765 ButanalC4H8O
   766 IsobutanalC4H8O
   767 Methyl ethyl ketoneC4H8O
   768 TetrahydrofuranC4H8O
   769 Diethyl etherC4H10O
   770 t-ButanolC4H10O
   771 C-C-C-C-C-O (Geo)C5O


REF: B. Bak, D. Christensen, W. B. Dixon, L. Hansen-Nygarrd, J. Rastrup-Anderson, M. Shottlander, J. Mol. Spectrosc., 9, 124 (1962).
  
 PM7
Furan
 GR=BCDH1962 <C2-O1> <> <C2-O1-C5> <C3-C2> <C3-C2-O1>
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.36200000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.38603037 +1  106.6000000 +1    0.0000000 +0     1     2     0
  C     1.36100000 +1  110.7000000 +1    0.0000000 +0     2     1     3
  C     1.36588678 +1  110.2290370 +0    0.0000000 +0     3     1     2
  H     1.06655324 +1  113.5230360 +1  180.0000000 +0     2     1     3
  H     1.06352209 +1  113.3187236 +1  180.0000000 +0     3     1     2
  H     1.07000956 +1  124.9638273 +1  180.0000000 +0     4     5     1
  H     1.06888149 +1  125.2057532 +1  180.0000000 +0     5     4     1