PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
3,4,5,6-tetrahydro-3,3,6,6-tetramethylpyridazine
651 3,4,5,6-Tetrahydro-3,3,6,6-tetramethylpyridazine
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# | Species | Formula |
641 | m-Dicyanobenzene | C8H4N2 | |
642 | o-Dicyanobenzene | C8H4N2 | |
643 | p-Dicyanobenzene | C8H4N2 | |
644 | Phthalazine | C8H6N2 | |
645 | Quinazoline | C8H6N2 | |
646 | Quinoxaline | C8H6N2 | |
647 | n-Pentylmalonodinitrile | C8H12N2 | |
648 | Tetramethylbutanedinitrile | C8H12N2 | |
649 | Tetramethylpyrazine | C8H12N2 | |
650 | 1,4-Dimethyl-2,3-diaza-bicyclo[2.2.2]oct-2-ene | C8H14N2 | |
651 | 3,4,5,6-Tetrahydro-3,3,6,6-tetramethylpyridazine | C8H16N2 | |
652 | Di-n-butyldiazene | C8H18N2 | |
653 | Di-tert-butyldiazene | C8H18N2 | |
654 | 1,2-Dibutylhydrazine | C8H20N2 | |
655 | 3-Quinolinamine | C9H8N2 | |
656 | 5-Quinolinamine | C9H8N2 | |
657 | 6-Quinolinamine | C9H8N2 | |
658 | 8-Quinolinamine | C9H8N2 | |
659 | 2-(Diethylamino)-pentanenitrile | C9H18N2 | |
660 | 2,2-Bipyridyl | C10H8N2 | |
661 | 2,4-Bipyridyl | C10H8N2 | |
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ΔHf: 10.0 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
3,4,5,6-Tetrahydro-3,3,6,6-tetramethylpyridazine
H=10.0 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.54401682 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.53059420 +1 110.8963474 +1 0.0000000 +0 2 1 0
C 1.54371782 +1 110.9484920 +1 -54.3244414 +1 3 2 1
N 1.48913342 +1 112.3400054 +1 40.8081500 +1 4 3 2
N 1.21557792 +1 125.4753982 +1 -14.2420528 +1 5 4 3
C 1.53615584 +1 110.0474874 +1 158.7508661 +1 1 2 3
C 1.53631550 +1 111.0277913 +1 122.4048175 +1 1 2 7
C 1.53651755 +1 110.9997891 +1 -119.5340187 +1 4 3 5
C 1.53598191 +1 110.1180464 +1 -122.3989273 +1 4 3 9
H 1.10666095 +1 110.0573174 +1 -121.8467072 +1 2 1 3
H 1.10489162 +1 110.0074322 +1 -115.8180895 +1 2 1 11
H 1.10493680 +1 110.3048203 +1 -122.1880248 +1 3 2 4
H 1.10685706 +1 109.8902885 +1 -115.8759532 +1 3 2 13
H 1.09601567 +1 111.6644048 +1 -60.6391999 +1 7 1 2
H 1.09884212 +1 110.8259593 +1 -118.8709801 +1 7 1 15
H 1.09411652 +1 111.1594371 +1 -120.1504212 +1 7 1 16
H 1.09888867 +1 110.9233969 +1 174.3314190 +1 8 1 2
H 1.09529531 +1 111.7141739 +1 -119.4635534 +1 8 1 18
H 1.09468624 +1 111.0977694 +1 -120.6983527 +1 8 1 19
H 1.09513315 +1 111.7217910 +1 54.5741255 +1 9 4 3
H 1.09883626 +1 110.9243181 +1 119.5343024 +1 9 4 21
H 1.09469871 +1 111.0830639 +1 119.7887089 +1 9 4 22
H 1.09886146 +1 110.8271162 +1 -179.5757902 +1 10 4 3
H 1.09608650 +1 111.6656809 +1 118.8298274 +1 10 4 24
H 1.09411164 +1 111.1633206 +1 120.9930958 +1 10 4 25