PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
diethyl cadmium
5344 Diethyl cadmium
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ΔHf: 25.5 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 8.2 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
Diethyl cadmium
H=25.5 HR=C&P1970 I=8.2 IR=LLNBS82
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.51671509 +1 0.0000000 +0 0.0000000 +0 1 0 0
Cd 2.15711302 +1 115.6508340 +1 0.0000000 +0 2 1 0
C 2.15711302 +0 179.0000000 +0 180.0000000 +0 3 2 1
C 1.51715611 +1 115.6508340 +0 180.0000000 +0 4 3 1
H 1.10015582 +1 109.6723634 +1 178.4035710 +1 5 4 3
H 1.09688720 +1 112.7829678 +1 59.4989881 +1 5 4 3
H 1.09693302 +1 112.6689674 +1 -62.7356719 +1 5 4 3
H 1.09923136 +1 101.4112247 +1 -57.3805592 +1 4 3 1
H 1.09858829 +1 101.6285901 +1 114.4073747 +1 4 3 9
H 1.09910261 +1 101.4243270 +1 57.1019916 +1 2 3 5
H 1.09905784 +1 101.4521913 +1 -57.0910732 +1 2 3 5
H 1.09691507 +1 112.7134410 +1 61.4651163 +1 1 2 3
H 1.09692545 +1 112.7483720 +1 -60.7971555 +1 1 2 3
H 1.10022362 +1 109.6828621 +1 -179.6750564 +1 1 2 3