PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
secnhr
4058 Isoselenocyanic acid (Se=C=N-H) (Geo)
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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