PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
1-fluorononane
1507 1-Fluorononane
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ΔHf: -101.2 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
1-Fluorononane
H=-101.2 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.52877843 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.53459932 +1 110.9504957 +1 0.0000000 +0 2 1 0
C 1.53377609 +1 110.7012787 +1 -179.9974094 +1 3 2 1
C 1.53398232 +1 110.7484262 +1 179.9909983 +1 4 3 2
C 1.53391591 +1 110.6107779 +1 179.9589248 +1 5 4 3
C 1.53425728 +1 110.6966100 +1 179.9939312 +1 6 5 4
C 1.53220689 +1 110.5148995 +1 179.9277453 +1 7 6 5
C 1.53342989 +1 109.9207780 +1 179.9711937 +1 8 7 6
F 1.36109471 +1 108.8292296 +1 179.8695068 +1 9 8 7
H 1.09561457 +1 111.4518705 +1 -59.9946553 +1 1 2 3
H 1.09561110 +1 111.4410366 +1 120.1363740 +1 1 2 11
H 1.09556434 +1 111.2201498 +1 119.9223671 +1 1 2 12
H 1.10631608 +1 109.9588212 +1 121.9372434 +1 2 1 3
H 1.10638279 +1 109.9409033 +1 116.1726787 +1 2 1 14
H 1.10569750 +1 109.9705565 +1 -121.9452264 +1 3 2 4
H 1.10576755 +1 109.9438062 +1 -116.1661392 +1 3 2 16
H 1.10595639 +1 110.0094074 +1 121.8904110 +1 4 3 5
H 1.10603610 +1 109.9878321 +1 116.2718573 +1 4 3 18
H 1.10586371 +1 109.9912324 +1 -121.8913721 +1 5 4 6
H 1.10592321 +1 109.9680995 +1 -116.2637611 +1 5 4 20
H 1.10617534 +1 109.9923640 +1 121.9126483 +1 6 5 7
H 1.10625959 +1 109.9684983 +1 116.2304214 +1 6 5 22
H 1.10650525 +1 109.8528085 +1 -121.9112409 +1 7 6 8
H 1.10655758 +1 109.8341296 +1 -116.2256570 +1 7 6 24
H 1.10757542 +1 110.2556242 +1 122.0288000 +1 8 7 9
H 1.10769707 +1 110.2202941 +1 115.9958696 +1 8 7 26
H 1.11410769 +1 111.4150813 +1 -119.3807250 +1 9 8 10
H 1.11392000 +1 111.5125834 +1 -121.2159086 +1 9 8 28