PM7 Accuracy

carbonyl fluoride   1574 Carbonyl fluoride

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    #  Species Formula
  1564 trans-DifluorodiazeneN2F2
  1565 NF2-CN (Geo)CN2F2
  1566 Difluorine oxideOF2
  1567 F2O (Geo)OF2
  1568 Be(OF)2Be2OF2
  1569 Boron difluoride oxide radical (Geo)BOF2
  1570 F2BOBOF2
  1571 F2BOH (Geo)HBOF2
  1572 Difluorohydroxyborane (1)HBOF2
  1573 F2BOHHBOF2
  1574 Carbonyl fluoride COF2
  1575 Carbonyl difluoride (Geo)COF2
  1576 MethoxydifluoroboraneH3BCOF2
  1577 B3O3HF2HB3O3F2
  1578 Lithium fluoride, trimerLi3F3
  1579 Lithium trifluoroberyllateLiBeF3
  1580 Boron trifluoride (Geo)BF3
  1581 Boron trifluorideBF3
  1582 Trifluoromethyl, cationCF3
  1583 TrifluoromethylCF3
  1584 Trifluoromethyl, anionCF3


DHf: -152.7 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 0.9 Debye,     REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Vol 2, Rahara Enterprises, El Cerrito, (1974).
  
 PM7
Carbonyl fluoride
 D=.95 H=-152.7 HR=C&P1970 DR=MCC1974 CP=11.19
  O     0.00388676  1  -0.00003800  1   0.00000111  1
  C     1.18671736  1   0.01214196  1  -0.00000607  1
  F     1.95414244  1   1.07466549  1   0.00000094  1
  F     1.97562601  1  -1.03447511  1   0.00000143  1