Accuracy

secnhr   4056 Isoselenocyanic acid (Se=C=N-H) (Geo)

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    #  Species Formula
  4046 DimethylseleniumC2H6Se
  4047 Ethyl selanol (anti) (Geo)C2H6Se
  4048 Dimethylselenium (Geo)C2H6Se
  4049 Selenophene (Geo)C4H4Se
  4050 SelenopheneC4H4Se
  4051 Tetrahydroselenophene (Geo)C4H8Se
  4052 TetrahydroselenopheneC4H8Se
  4053 DiethylseleniumC4H10Se
  4054 SeH-NH2H3NSe
  4055 SeH-NH2 (Geo)H3NSe
  4056 Isoselenocyanic acid (Se=C=N-H) (Geo) HCNSe
  4057 Selenium oxide (Geo)OSe
  4058 Carbon oxyselenide (Geo)COSe
  4059 Selenium dioxideO2Se
  4060 Selenium dioxide (Geo)O2Se
  4061 Selenium trioxide (Geo)O3Se
  4062 Selenic acid (Se(OH)6) (Geo)H6O6Se
  4063 Selenium fluorideFSe
  4064 Selenocarbonyl difluoride (Geo)CF2Se
  4065 Selenyl fluoride (Geo)OF2Se
  4066 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