Accuracy
triphenylbismuth
8169 Triphenylbismuth
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Geometry predicted using PM7
ΔHf: 138.6 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 7.5 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
Triphenylbismuth
H=138.6 HR=C&P1970 I=7.45 IR=LLNBS82
Bi 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.27277247 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.39074413 +1 119.3551310 +1 0.0000000 +0 2 1 0
C 1.39670892 +1 119.8332373 +1 -179.0403849 +1 3 2 1
C 1.39303279 +1 120.1792799 +1 0.1458952 +1 4 3 2
C 1.39313029 +1 119.7373382 +1 -0.0807556 +1 5 4 3
C 1.39645955 +1 120.1453491 +1 -0.0928266 +1 6 5 4
H 1.08904709 +1 122.0295231 +1 1.4204830 +1 3 2 1
H 1.08689493 +1 119.8524085 +1 -179.6506388 +1 4 3 2
H 1.08672417 +1 120.1234738 +1 -179.9083168 +1 5 4 3
H 1.08711833 +1 120.0063088 +1 -179.8774792 +1 6 5 4
H 1.09107913 +1 118.3350627 +1 -179.4155685 +1 7 6 5
C 2.27232068 +1 94.4551269 +1 -59.8793721 +1 1 2 3
C 1.39007001 +1 121.1154103 +1 -112.3914470 +1 13 1 2
C 1.39645701 +1 119.8966771 +1 -178.7261763 +1 14 13 1
C 1.39308716 +1 120.1614949 +1 -0.1154536 +1 15 14 13
C 1.39307336 +1 119.7110424 +1 0.1163073 +1 16 15 14
C 1.39669403 +1 120.1997813 +1 0.0286378 +1 17 16 15
H 1.09128506 +1 121.7557996 +1 1.5149623 +1 14 13 1
H 1.08717598 +1 119.8262493 +1 -179.9966523 +1 15 14 13
H 1.08670334 +1 120.1598894 +1 -179.8374953 +1 16 15 14
H 1.08687208 +1 119.9487876 +1 -179.8212866 +1 17 16 15
H 1.08906559 +1 118.0673532 +1 -179.9612712 +1 18 17 16
C 2.26936740 +1 94.6895356 +1 -155.6168910 +1 1 2 3
C 1.39081102 +1 118.1929130 +1 -134.5142681 +1 24 1 2
C 1.39711052 +1 119.7823204 +1 179.7367796 +1 25 24 1
C 1.39300639 +1 120.2148687 +1 0.0337846 +1 26 25 24
C 1.39338690 +1 119.7509438 +1 -0.0616902 +1 27 26 25
C 1.39624979 +1 120.0968853 +1 0.0310764 +1 28 27 26
H 1.08923384 +1 122.1164830 +1 -0.3082294 +1 25 24 1
H 1.08672094 +1 119.8649501 +1 -179.9760667 +1 26 25 24
H 1.08669973 +1 120.0847957 +1 179.9814488 +1 27 26 25
H 1.08720559 +1 120.0244961 +1 -179.9992279 +1 28 27 26
H 1.09189864 +1 118.5207120 +1 -179.9363606 +1 29 28 27