PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
phosphorus nitride
1965 Phosphorus nitride
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ΔHf: 42.8 kcal/mol, REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
Dipole: 1.9 Debye, REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
FIELD=(0.01,0.02,0.03) PULAY UHF PM7
Phosphorus nitride
H=42.8 HR=WHSMC03 D=1.88 DR=WHSMC03
P 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
N 1.47261731 +1 0.0000000 +0 0.0000000 +0 1 0 0