PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
nabo2r
1688 NaBO2 (Geo)
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REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
PM7
NaBO2
<Na-O> <O-B> <Na-O-B> <B=O> GR=JANAF86 GWT=0.25
Na 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 2.14000000 +1 0.0000000 +0 0.0000000 +0 1 0 0
XX 1.00000000 +0 90.0000000 +0 0.0000000 +0 2 1 0
B 1.36000000 +1 100.0000000 +1 0.0000000 +0 2 1 3
O 1.20000000 +1 178.1821234 +1 -0.0702580 +1 4 2 1