PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
diazomethane
593 Diazomethane
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ΔHf: 71.0 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 1.5 Debye, REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
I.P.: 9.0 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.
PM7
Diazomethane
DR=NLM1967 HR=C&P1970 D=1.5 H=71 I=9.0 IR=LLNBS82
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
H 1.07890054 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.07898634 +1 113.5628247 +1 0.0000000 +0 1 2 0
N 1.27865794 +1 123.2928789 +1 -179.9889846 +1 1 2 3
N 1.13757410 +1 179.9866354 +1 -74.5210395 +1 4 1 2