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

sic3cl (guhhas)   2457 SiC3Cl (GUHHAS)

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    #  Species Formula
  2447 Aluminum chloride oxideOAlCl
  2448 Aluminum chloride fluoride, cationFAlCl
  2449 AlClFFAlCl
  2450 Aluminum chloride difluorideF2AlCl
  2451 Chlorosilylidyne (Geo)SiCl
  2452 Silicon chlorideSiCl
  2453 ChlorosilaneH3SiCl
  2454 ChlorodimethylsilaneC2H7SiCl
  2455 ChlorotrimethylsilaneC3H9SiCl
  2456 SiC3Cl (GUHHAS) (Geo)C3H9SiCl
  2457 SiC3Cl (GUHHAS) C3H9SiCl
  2458 SiF4Cl, anionF4SiCl
  2459 Phosphorus chloridePCl
  2460 Phosphorus monoxide monochlorideOPCl
  2461 SClSCl
  2462 CH3SClCH3SCl
  2463 CH3SCl (Geo)CH3SCl
  2464 C6H5SClC6H5SCl
  2465 SOClOSCl
  2466 HOSO2ClHO3SCl
  2467 SO2ClFO2FSCl


ΔHf: -88.2 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 PM7
SiC3Cl (GUHHAS)
 H=-88.2 HR=PW91D
 Si     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.85745968 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.85736036 +1  110.8044265 +1    0.0000000 +0     1     2     0
 Cl     2.03450476 +1  107.9609992 +1 -118.3333157 +1     1     2     3
  H     1.10750365 +1  111.5726875 +1  176.8494115 +1     2     1     3
  H     1.10747224 +1  111.6187043 +1 -119.6836256 +1     2     1     5
  H     1.10618919 +1  112.0628477 +1 -120.1291787 +1     2     1     6
  H     1.10616631 +1  112.0300475 +1   62.9751393 +1     3     1     2
  H     1.10741323 +1  111.6559352 +1 -120.1809026 +1     3     1     8
  C     1.85732709 +1  110.7835798 +1 -118.3306988 +1     1     2     4
  H     1.10743959 +1  111.6335461 +1   57.4562883 +1    10     1     2
  H     1.10748678 +1  111.5909822 +1  119.7468778 +1    10     1    11
  H     1.10615968 +1  112.0354378 +1  120.1021378 +1    10     1    12
  H     1.10752764 +1  111.5632149 +1 -119.7329380 +1     3     1     9