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

secnhr   4058 Isoselenocyanic acid (Se=C=N-H) (Geo)

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    #  Species Formula
  4048 DimethylseleniumC2H6Se
  4049 Ethyl selanol (anti) (Geo)C2H6Se
  4050 Dimethylselenium (Geo)C2H6Se
  4051 Selenophene (Geo)C4H4Se
  4052 SelenopheneC4H4Se
  4053 Tetrahydroselenophene (Geo)C4H8Se
  4054 TetrahydroselenopheneC4H8Se
  4055 DiethylseleniumC4H10Se
  4056 SeH-NH2H3NSe
  4057 SeH-NH2 (Geo)H3NSe
  4058 Isoselenocyanic acid (Se=C=N-H) (Geo) HCNSe
  4059 Selenium oxide (Geo)OSe
  4060 Carbon oxyselenide (Geo)COSe
  4061 Selenium dioxideO2Se
  4062 Selenium dioxide (Geo)O2Se
  4063 Selenium trioxide (Geo)O3Se
  4064 Selenic acid (Se(OH)6) (Geo)H6O6Se
  4065 Selenium fluorideFSe
  4066 Selenocarbonyl difluoride (Geo)CF2Se
  4067 Selenyl fluoride (Geo)OF2Se
  4068 Selenoyl fluoride (SeO2F2) (Geo)O2F2Se


REF: J. H. Callomon, E. Hirota, T. Iijima, K. Kuchitsu, W. J. Lafferty, "Structure Data on Free Polyatomic Molecules," Landolt-Bornstein, New Series, Group II, Vol. 15, Springer, Berlin (1977).
  
 PM7
Isoselenocyanic acid (Se=C=N-H)
 <Se=C> <C=N> <N-H> GR=CHIK1986
 Se     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.71900000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.19100000 +1  180.0000000 +0    0.0000000 +0     2     1     0
  H     0.99000000 +1  180.0000000 +0  180.0000000 +0     3     2     1