PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
c5h5bi (bismin)
8168 C5H5Bi (Bismin)
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I.P.: 7.9 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
C5H5Bi (Bismin)
I=7.9 IR=LLNBS82
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.37155608 +1 0.0000000 +0 0.0000000 +0 1 0 0
Bi 2.18763247 +1 124.7769117 +1 0.0000000 +0 2 1 0
C 2.18842949 +1 88.5322596 +1 0.0551623 +1 3 2 1
C 1.37165723 +1 124.6069774 +1 0.1806558 +1 4 3 2
C 1.40027597 +1 126.5656207 +1 -0.3049870 +1 5 4 3
H 1.08994171 +1 116.7192652 +1 -179.9419881 +1 4 3 2
H 1.09865732 +1 118.0015286 +1 179.7445794 +1 5 4 3
H 1.10284457 +1 115.3515752 +1 -179.8606194 +1 6 5 4
H 1.09828518 +1 115.4521715 +1 -179.8830346 +1 1 6 5
H 1.08999941 +1 118.8314795 +1 179.8502470 +1 2 1 6