PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
3-azabicyclo(3.2.2)nonane
537 3-Azabicyclo[3.2.2]nonane
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ΔHf: -10.4 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-Azabicyclo[3.2.2]nonane
H=-10.44 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.53585965 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.53671790 +1 113.2203065 +1 0.0000000 +0 2 1 0
C 1.53701483 +1 113.4387220 +1 -3.9424366 +1 3 2 1
C 1.53597498 +1 110.4295324 +1 -49.2718182 +1 4 3 2
C 1.53594405 +1 109.9372194 +1 54.3673413 +1 1 2 3
C 1.55217357 +1 111.4950201 +1 -125.1741523 +1 1 2 6
N 1.47291697 +1 116.0313428 +1 91.4965907 +1 7 1 2
C 1.47312374 +1 112.7141316 +1 -58.5157518 +1 8 7 1
H 1.11846437 +1 107.7631487 +1 -117.2227738 +1 1 2 7
H 1.10720945 +1 108.7955577 +1 -121.8090133 +1 2 1 3
H 1.10563074 +1 109.6932212 +1 -115.0047858 +1 2 1 11
H 1.10704703 +1 109.2560316 +1 -121.6711776 +1 3 2 4
H 1.10584516 +1 109.8618211 +1 -115.3288844 +1 3 2 13
H 1.11890780 +1 107.6207037 +1 -117.6359019 +1 4 3 5
H 1.10531484 +1 109.6196346 +1 176.1399821 +1 5 4 3
H 1.10721245 +1 108.7033708 +1 114.9235904 +1 5 4 16
H 1.10518893 +1 109.7109809 +1 -174.3583906 +1 6 1 2
H 1.10705181 +1 108.8417542 +1 -114.8881399 +1 6 1 18
H 1.11249082 +1 109.5340863 +1 121.2278908 +1 7 1 8
H 1.11207489 +1 109.6557581 +1 116.2260891 +1 7 1 20
H 1.02087483 +1 110.1119715 +1 123.2685830 +1 8 7 9
H 1.11245345 +1 107.1279049 +1 178.8186948 +1 9 8 7
H 1.11231807 +1 107.7913232 +1 113.9405251 +1 9 8 23