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

tri-n-propylthioborane   2302 Tri-n-propylthioborane

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    #  Species Formula
  2292 HS3HS3
  2293 Hydrogen trisulfideHS3
  2294 2,3,4-TrithiapentaneC2H6S3
  2295 1,3-Dithiol-2-thioneC3H2S3
  2296 1,3-Dithiolan-2-thioneC3H4S3
  2297 TrimethylthioboraneH9BC3S3
  2298 TriethylthioboraneH15BC6S3
  2299 1,3-Benzodithiole-2-thioneC7H4S3
  2300 3H-1,2-Benzodithiole-3-thioneC7H4S3
  2301 4,5-Tetramethylene-1,3-dithiol-2-thioneC7H8S3
  2302 Tri-n-propylthioborane H21BC9S3
  2303 TriphenylthioboraneH15BC18S3
  2304 Sulfur tetramerS4
  2305 Sulfur, tetramer (open chain)S4
  2306 Hydrogen tetrasulfideH2S4
  2307 SiS4 (DANCUQ) (Geo)C4H8SiS4
  2308 SiS4 (DANCUQ)C4H8SiS4
  2309 Sulfur, pentamerS5
  2310 Hydrogen pentasulfideH2S5
  2311 S6 (Geo)S6
  2312 Sulfur, hexamerS6


ΔHf: -79.5 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
Tri-n-propylthioborane
 H=-79.5 HR=C&P1970
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53146727 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.52777532 +1  109.6113607 +1    0.0000000 +0     2     1     0
  S     1.83866639 +1  108.5580455 +1 -179.8129883 +1     3     2     1
  B     1.81145526 +1  109.3146396 +1 -179.7110131 +1     4     3     2
  S     1.81109394 +1  120.0564785 +1 -179.7991093 +1     5     4     3
  C     1.83703531 +1  109.3869051 +1    0.1581864 +1     6     5     4
  C     1.52839157 +1  108.4208226 +1 -179.9772943 +1     7     6     5
  C     1.53101265 +1  109.6908975 +1 -179.9719100 +1     8     7     6
  S     1.81133446 +1  119.9430789 +1    0.2500140 +1     5     4     3
  C     1.83706013 +1  109.4418312 +1 -179.9023646 +1    10     5     4
  C     1.52837700 +1  108.3897124 +1 -179.8627520 +1    11    10     5
  C     1.53102879 +1  109.7029848 +1 -179.9678577 +1    12    11    10
  H     1.09589927 +1  111.0643272 +1 -179.9400981 +1     1     2     3
  H     1.09587528 +1  111.5755403 +1   60.2988849 +1     1     2     3
  H     1.09590932 +1  111.5833007 +1  -60.1291488 +1     1     2     3
  H     1.10882798 +1  109.4611563 +1   57.9119908 +1     2     1    14
  H     1.10885809 +1  109.4835009 +1  -57.7555726 +1     2     1    14
  H     1.10645773 +1  110.4225681 +1   59.2375560 +1     3     2     1
  H     1.10647155 +1  110.4318195 +1  -58.7776827 +1     3     2     1
  H     1.10649461 +1  110.3832748 +1   58.9582129 +1     7     6     5
  H     1.10649470 +1  110.4102245 +1  -58.9330477 +1     7     6     5
  H     1.10897499 +1  111.1096176 +1   58.8422673 +1     8     7     6
  H     1.10897447 +1  111.1028693 +1  -58.7902888 +1     8     7     6
  H     1.09602404 +1  111.0712180 +1 -179.9208625 +1     9     8     7
  H     1.09593320 +1  111.5941352 +1   60.2959802 +1     9     8     7
  H     1.09594622 +1  111.6044962 +1  -60.1293742 +1     9     8     7
  H     1.10649830 +1  110.3862466 +1   59.1133557 +1    11    10     5
  H     1.10653490 +1  110.4133965 +1  -58.7972886 +1    11    10     5
  H     1.10894822 +1  111.1078321 +1   58.8387928 +1    12    11    10
  H     1.10894223 +1  111.1063743 +1  -58.7813390 +1    12    11    10
  H     1.09602404 +1  111.0641743 +1 -179.8883095 +1    13    12    11
  H     1.09596633 +1  111.5926853 +1   60.3337705 +1    13    12    11
  H     1.09598277 +1  111.6028212 +1  -60.1020380 +1    13    12    11