PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
dimethylselenium
4048 Dimethylselenium
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Dipole: 1.4 Debye, REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Vol 2, Rahara Enterprises, El Cerrito, (1974).
I.P.: 8.4 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
Dimethylselenium
I=8.4 IR=LLNBS82 D=1.41 DR=MCC1974
Se 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
XX 5.00000000 +0 0.0000000 +0 0.0000000 +0 1 0 0
XX 5.00000000 +0 90.0000000 +0 0.0000000 +0 2 1 0
C 1.94533294 +1 49.3573098 +1 0.0000000 +0 1 2 3
C 1.94533294 +0 49.3573098 +0 180.0000000 +0 1 2 3
XX 5.00000000 +0 127.6000000 +0 0.0000000 +0 5 1 2
XX 5.00000000 +0 127.6000000 +0 0.0000000 +0 4 1 2
H 1.08514988 +1 105.6814320 +1 180.0000000 +0 4 1 5
H 1.08514988 +0 105.6814320 +0 180.0000000 +0 5 1 4
H 1.08258327 +1 55.1297463 +1 89.8443844 +1 4 7 1
H 1.08258327 +0 55.1297463 +0 -89.8443844 +0 4 7 1
H 1.08258327 +0 55.1297463 +0 -89.8443844 +0 5 6 1
H 1.08258327 +0 55.1297463 +0 89.8443844 +0 5 6 1