Accuracy
carbon, atom
47 Carbon, atom
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Geometry predicted using PM7
Jmol._Canvas2D (Jmol) "jmolApplet0"
[x]
#
Species
Formula
37
Tetraborane(10)
H10B4
38
B5H9 (Geo)
H9B5
39
Pentaborane(9)
H9B5
40
B5H11 (Geo)
H11B5
41
Pentaborane(11)
H11B5
42
B6H10 (Geo)
H10B6
43
Hexaborane(10)
H10B6
44
B10H14 (Geo)
H14B10
45
Decaborane(14)
H14B10
46
Carbon, cation
C
47
Carbon, atom
C
48
Methylidyne
HC
49
Methylene, singlet (Geo)
CH2
50
Methylene, triplet (Geo)
CH2
51
Methylene, singlet
CH2
52
Methylene, triplet
CH2
53
Methyl, cation
CH3
54
Methane (Geo)
CH4
55
Methane
CH4
56
Methyl lithium (Geo)
H3LiC
57
Methyl lithium
H3LiC
Δ
H
f
:
170.9 kcal/mol,
REF:
"CRC Handbook of Chemistry and Physics," 60th Edition, R. C. Weast, (Ed.), CRC Press, Boca Raton, FL, 1980.
OPEN(2,3) MECI PM7 Carbon, atom H=170.89 HR=CRC C 0.00000000 +0 0.00000000 +0 0.00000000 +0