Back to Features of PM6

Individual Molecules (Home)

48 B10H14 (Geo)

(Previous)     (Back)     (Next)
     

  #           Species Formula
  38 Diborane (Geo)H6B2
  39 DiboraneH6B2
  40 B4H10 (Geo)H10B4
  41 Tetraborane(10)H10B4
  42 B5H9 (Geo)H9B5
  43 Pentaborane(9)H9B5
  44 B5H11 (Geo)H11B5
  45 Pentaborane(11)H11B5
  46 B6H10 (Geo)H10B6
  47 Hexaborane(10)H10B6
  48 B10H14 (Geo) H14B10
  49 Decaborane(14)H14B10
  50 Carbon, cationC
  51 Carbon, atomC
  52 MethylidyneCH
  53 Methylene, singlet (Geo)CH2
  54 Methylene, triplet (Geo)CH2
  55 Methylene, singletCH2
  56 Methylene, tripletCH2
  57 Methyl, cationCH3
  58 Methane (Geo)CH4



REF: E. A. Laws, R. M. Stevens, W. N. Lipscomb, J. Am. Chem. Soc., 94, 4461 (1972).

  
 GNORM=0.01 DCART SYMMETRY EXT ERNAL=M:\MD\ELEMENTS\00_BIO\PARAMS.TXT
B10H14
 <B3-B1> <B2-B1><> <B5-B2><><> <B6-B2><><> <B8-B7> GR=LSL1972
  B         0.00000000 +0    0.0000000 +0    0.0000000 +0                      0.0000
  B         1.78900000 +1    0.0000000 +0    0.0000000 +0    1    0    0       0.0000
  B         1.77600000 +1   59.0130180 +1    0.0000000 +0    2    1    0       0.0000
  B         1.73500000 +1  105.8779464 +1 -102.3323292 +1    1    2    3       0.0000
  B         1.72000000 +1  114.5682324 +1  105.9318787 +1    3    2    1       0.0000
  B         1.97300000 +1   60.1627779 +1   99.3906348 +1    4    1    2       0.0000
  B         1.74757242 +1  110.6718155 +1  -12.0427219 +1    4    1    2       0.0000
  B         1.74754870 +1   61.2461833 +1   28.8695990 +1    5    3    2       0.0000
  B         1.70491780 +1   61.2454837 +1  -27.3726300 +1    7    4    1       0.0000
  B         1.74758018 +1  103.1735736 +1   18.8426761 +1    7    4    1       0.0000
  H         1.34903430 +1  142.7518802 +1  -37.5237299 +1    6    1    2       0.0000
  H         1.34903430 +0  142.7518802 +0   37.5237299 +0    8    2    1       0.0000
  H         1.34903430 +0  142.7518802 +0   37.5237299 +0    4    1    2       0.0000
  H         1.34903430 +0  142.7518802 +0  -37.5237299 +0   10    2    1       0.0000
  H         1.18670903 +1  121.0541416 +1  180.0000000 +0    5    3    9       0.0000
  H         1.18670903 +0  121.0541416 +0  180.0000000 +0    7    9    3       0.0000
  H         1.18914416 +1  119.1187296 +1 -109.0710161 +1    6    5    3       0.0000
  H         1.18914416 +0  119.1187296 +0  109.0710161 +0    8    5    3       0.0000
  H         1.18914416 +0  119.1187296 +0  109.0710161 +0    4    7    9       0.0000
  H         1.18914416 +0  119.1187296 +0 -109.0710161 +0   10    7    9       0.0000
  H         1.18526696 +1  128.9998745 +1 -108.8110403 +1    2    1    3       0.0000
  H         1.18526696 +0  128.9998745 +0  108.8110403 +0    1    2    3       0.0000
  H         1.18763803 +1  116.0744544 +1  180.0000000 +0    9    7    5       0.0000
  H         1.18763803 +0  116.0744544 +0  180.0000000 +0    3    5    7       0.0000