PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

tri-isopropylborane    276 Tri-isopropylborane

(Previous)     (Back)     (Next)        

   

    #  Species Formula
   266 4-Methyl heptaneC8H18
   267 n-OctaneC8H18
   268 Li(I)4(Et)4 (ETHYLI) (Geo)C8H20Li4
   269 Li(I)4(Et)4 (ETHYLI)C8H20Li4
   270 alpha-Methyl styreneC9H10
   271 Cyclopropyl benzeneC9H10
   272 1,3,5-Trimethyl cyclohexaneC9H18
   273 cis-cis-trans-1,3,5-Trimethyl cyclohexaneC9H18
   274 3,3-DiethylpentaneC9H20
   275 n-NonaneC9H20
   276 Tri-isopropylborane H21BC9
   277 TripropylboraneH21BC9
   278 AzuleneC10H8
   279 Naphthalene (Geo)C10H8
   280 NaphthaleneC10H8
   281 1,4-Dicyclopropylbuta-1,3-diyneC10H10
   282 1-Butynl benzeneC10H10
   283 2a,4a,6a,6b-TetrahydrocyclopentapentaleneC10H10
   284 BulvaleneC10H10
   285 DiisopropenyldiacetyleneC10H10
   286 Tricyclo[6.2.0.0]deca-1(8),2,6-trieneC10H10


ΔHf: -60.1 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
Tri-isopropylborane
 H=-60.1 HR=C&P1970
  B     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.60621235 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.52797268 +1  109.3138697 +1    0.0000000 +0     2     1     0
  C     1.52823832 +1  108.7997757 +1 -122.0591260 +1     2     1     3
  C     1.60595721 +1  120.0669505 +1 -120.7278322 +1     1     2     3
  C     1.52741906 +1  109.9903551 +1  -55.1392875 +1     5     1     2
  C     1.52881288 +1  108.1044393 +1   66.9315725 +1     5     1     2
  C     1.60627273 +1  119.9587570 +1   59.5160557 +1     1     2     3
  C     1.52746035 +1  109.7797541 +1 -123.6909097 +1     8     1     2
  C     1.52868756 +1  108.3065600 +1  114.2577742 +1     8     1     2
  H     1.11494911 +1  109.2304633 +1   -1.6959651 +1     2     1     5
  H     1.09742535 +1  110.7054839 +1  175.0045571 +1     3     2     1
  H     1.09635472 +1  112.0040625 +1   55.6050749 +1     3     2     1
  H     1.09650171 +1  112.2474305 +1  -65.5309282 +1     3     2     1
  H     1.09661962 +1  112.2547322 +1   63.3326508 +1     4     2     1
  H     1.09643545 +1  111.9753113 +1  -57.8700245 +1     4     2     1
  H     1.09748247 +1  110.6772982 +1 -177.2144137 +1     4     2     1
  H     1.11510886 +1  109.2536888 +1 -174.5389955 +1     5     1     2
  H     1.09735437 +1  110.7475845 +1 -174.7357812 +1     6     5     1
  H     1.09650367 +1  112.2517719 +1   65.7521959 +1     6     5     1
  H     1.09624322 +1  111.9649037 +1  -55.3124900 +1     6     5     1
  H     1.09755134 +1  110.6237441 +1  177.9765937 +1     7     5     1
  H     1.09652333 +1  111.9926538 +1   58.6569594 +1     7     5     1
  H     1.09665807 +1  112.2741151 +1  -62.6313198 +1     7     5     1
  H     1.11508585 +1  109.2812286 +1   -4.3181776 +1     8     1     2
  H     1.09739605 +1  110.7355919 +1  176.2038725 +1     9     8     1
  H     1.09632921 +1  111.9495241 +1   56.7999190 +1     9     8     1
  H     1.09654459 +1  112.2460112 +1  -64.3062564 +1     9     8     1
  H     1.09753570 +1  110.6344668 +1 -176.9524672 +1    10     8     1
  H     1.09657709 +1  112.2846787 +1   63.6500738 +1    10     8     1
  H     1.09649178 +1  112.0150867 +1  -57.6093530 +1    10     8     1