PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
dimethylformamide
930 Dimethylformamide
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ΔHf: -45.8 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 3.8 Debye, REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
PM7
Dimethylformamide
DR=NLM1967 D=3.82 H=-45.8 HR=C&P1970
N 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.45841802 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.10600566 +1 110.7620979 +1 0.0000000 +0 2 1 0
H 1.10289592 +1 111.5254816 +1 120.0410231 +1 2 1 3
H 1.10596992 +1 110.7743677 +1 -119.9148971 +1 2 1 3
C 1.45985974 +1 116.4423326 +1 60.0296800 +1 1 2 3
H 1.10315116 +1 111.0368684 +1 60.3931700 +1 6 1 2
H 1.11056561 +1 110.1710778 +1 119.2836785 +1 6 1 7
H 1.10324948 +1 111.0088763 +1 -121.4480840 +1 6 1 7
C 1.37452054 +1 122.3427445 +1 179.8408360 +1 1 2 6
H 1.09850434 +1 116.5008371 +1 0.0543793 +1 10 1 2
O 1.21606993 +1 120.7425750 +1 179.9958645 +1 10 1 11