PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
trimethylarsine
3976 Trimethylarsine
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ΔHf: 2.8 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 1.1 Debye, REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Vol 2, Rahara Enterprises, El Cerrito, (1974).
I.P.: 8.6 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
Trimethylarsine
H=2.8 HR=C&P1970 I=8.65 IR=LLNBS82 D=1.10 DR=MCC1974
As 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.98187345 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.10019272 +1 110.6276249 +1 0.0000000 +0 2 1 0
H 1.09685839 +1 114.7234906 +1 120.7411685 +1 2 1 3
H 1.10008427 +1 110.7435813 +1 -118.5490524 +1 2 1 3
C 1.98233182 +1 100.8582367 +1 -71.6327316 +1 1 2 3
H 1.09683669 +1 114.6874894 +1 -52.3785639 +1 6 1 2
H 1.10014681 +1 110.7179067 +1 120.6882733 +1 6 1 7
H 1.10007635 +1 110.6865845 +1 -120.7029148 +1 6 1 7
C 1.98234429 +1 100.8506947 +1 -103.2377586 +1 1 2 6
H 1.09683480 +1 114.6947965 +1 50.6032642 +1 10 1 2
H 1.10004737 +1 110.7206229 +1 120.7108278 +1 10 1 11
H 1.10012188 +1 110.6840361 +1 -120.6884966 +1 10 1 11