PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
3(tert-butyl)-1-propene
2100 3(tert-Butyl)-1-propene
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ΔHf: -11.1 kcal/mol, REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
PM7
3(tert-Butyl)-1-propene
H=-11.1 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.33364616 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.48664356 +1 122.8702779 +1 0.0000000 +0 2 1 0
S 1.84260039 +1 106.0730971 +1 104.4913336 +1 3 2 1
C 1.87171274 +1 104.0592132 +1 156.5274493 +1 4 3 2
C 1.52608204 +1 110.0763761 +1 58.1289436 +1 5 4 3
C 1.52576171 +1 110.3561794 +1 -122.3493597 +1 5 4 6
C 1.52827140 +1 104.7729470 +1 -118.8336024 +1 5 4 7
H 1.07887509 +1 124.0095057 +1 -0.4985083 +1 1 2 3
H 1.07898920 +1 123.3127079 +1 -179.5402470 +1 1 2 9
H 1.09220075 +1 121.7188023 +1 -179.7319186 +1 2 1 3
H 1.10567430 +1 111.4511660 +1 120.4282393 +1 3 2 4
H 1.10604003 +1 112.7602239 +1 119.9960667 +1 3 2 12
H 1.09584140 +1 112.5965811 +1 -66.0358177 +1 6 5 4
H 1.09809015 +1 112.2936071 +1 121.5455008 +1 6 5 14
H 1.09856258 +1 110.7584887 +1 119.1350244 +1 6 5 15
H 1.09585359 +1 112.7554142 +1 66.7168606 +1 7 5 4
H 1.09824803 +1 112.2503116 +1 -121.4885531 +1 7 5 17
H 1.09854064 +1 110.7318177 +1 -119.1677678 +1 7 5 18
H 1.09837997 +1 112.5173603 +1 -60.1177833 +1 8 5 4
H 1.09835537 +1 112.4816149 +1 121.5030529 +1 8 5 20
H 1.09813858 +1 110.6518437 +1 119.2427870 +1 8 5 21