PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
arsine
3973 Arsine
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ΔHf: 15.9 kcal/mol, REF: D. D. Wagman, W. H. Evans, V. B. Parker, R. H. Schumm, I. Halow, S. M. Bailey, K. L. Churney, R. L. Nuttall, J. Phys. Chem. Ref. Data Suppl. 11, 2 (1982).
Dipole: 0.2 Debye, REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
I.P.: 10.6 eV, REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
SYMMETRY PM7
Arsine
H=15.88 HR=WEPS1982 I=10.58 IR=LLNBS82 D=0.2 DR=NLM1967 S=53.25 CP=9.11
H 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
As 1.52326482 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.52326482 +0 95.8858316 +1 0.0000000 +0 2 1 0
H 1.52326482 +0 95.8858316 +0 96.5705236 +1 2 1 3