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

tetraisobutylsuccinonitrile    680 Tetraisobutylsuccinonitrile

(Previous)     (Back)     (Next)        

   

    #  Species Formula
   670 cis-AzobenzeneC12H10N2
   671 Diphenyl diazeneC12H10N2
   672 4,4'-Dimethyl-2,2'-bipyridineC12H12N2
   673 1,(1-Piperidinyl) cyclohexanecarbonitrileC12H20N2
   674 Li(I)(Cp)N2 (SIJNII) (Geo)H23LiC12N2
   675 Li(I)(Cp)N2 (SIJNII)H23LiC12N2
   676 a-Phenyl-1-piperidineacetonitrileC13H16N2
   677 Li(I)N2C5 (FAGCAR) (Geo)H25LiC14N2
   678 Li(I)N2C5 (FAGCAR)H25LiC14N2
   679 2,2'-BiquinolineC18H12N2
   680 Tetraisobutylsuccinonitrile C20H36N2
   681 AzideN3
   682 Azide (Geo)N3
   683 Hydrazoic acidHN3
   684 BorazoleH6B3N3
   685 Borazole (Geo)H6B3N3
   686 Methyl AzideCH3N3
   687 1,3,5-TriazineC3H3N3
   688 s-Triazine (Geo)C3H3N3
   689 EthylenetricarbonitrileHC5N3
   690 1,1,1-EthanetricarbonitrileC5H3N3


ΔHf: -26.7 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
Tetraisobutylsuccinonitrile
 H=-26.7 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53609406 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.54295693 +1  108.7359125 +1    0.0000000 +0     2     1     0
  C     1.55012299 +1  115.9140967 +1  157.5519302 +1     3     2     1
  C     1.45501474 +1  109.0172606 +1   72.9134483 +1     4     3     2
  C     1.60172383 +1  109.7937960 +1  115.9766448 +1     4     3     5
  C     1.45498846 +1  106.1984764 +1   67.0202490 +1     6     4     3
  C     1.55043290 +1  109.6848648 +1 -117.6824513 +1     6     4     7
  C     1.54261907 +1  116.0536372 +1 -170.8268646 +1     8     6     4
  C     1.53073311 +1  111.8224523 +1  -80.2232128 +1     9     8     6
  C     1.53616335 +1  108.6550286 +1 -120.9160120 +1     9     8    10
  C     1.53076239 +1  109.4960926 +1 -122.3689475 +1     2     1     3
  C     1.54947352 +1  110.7848006 +1  120.0126233 +1     4     3     6
  C     1.54198284 +1  115.3181554 +1   97.2813854 +1    13     4     3
  C     1.53309614 +1  110.9358835 +1   90.4716573 +1    14    13     4
  C     1.53442881 +1  109.5118000 +1  120.9536586 +1    14    13    15
  C     1.54905898 +1  108.6896858 +1 -121.2864208 +1     6     4     8
  C     1.54229477 +1  115.2670918 +1 -142.5468908 +1    17     6     4
  C     1.53475938 +1  109.4570091 +1 -148.5028156 +1    18    17     6
  C     1.53309532 +1  110.9076138 +1 -120.8683479 +1    18    17    19
  N     1.15730508 +1  142.8757993 +1 -176.6071645 +1     5     3     4
  N     1.15734717 +1  139.4981242 +1  178.1905082 +1     7     4     6
  H     1.09506697 +1  111.6018901 +1   59.5163702 +1     1     2     3
  H     1.09555565 +1  111.5528133 +1 -120.6452921 +1     1     2    23
  H     1.09545908 +1  111.0764572 +1 -119.6280948 +1     1     2    24
  H     1.11612962 +1  108.1257223 +1 -118.4112802 +1     2     1    12
  H     1.10786223 +1  108.2126429 +1  123.9162312 +1     3     2     4
  H     1.11054215 +1  108.4705492 +1  114.2380339 +1     3     2    27
  H     1.11061202 +1  108.1424744 +1  121.9848950 +1     8     6     9
  H     1.10822057 +1  109.7966018 +1  114.9493568 +1     8     6    29
  H     1.11618784 +1  109.8036086 +1 -118.0952720 +1     9     8    11
  H     1.09587400 +1  111.1384217 +1 -176.2410021 +1    10     9     8
  H     1.09551539 +1  111.8072509 +1  119.8956193 +1    10     9    32
  H     1.09537278 +1  112.1506457 +1  120.5620205 +1    10     9    33
  H     1.09509219 +1  111.6106147 +1   59.4150668 +1    11     9     8
  H     1.09551139 +1  111.0861349 +1  119.7447314 +1    11     9    35
  H     1.09551979 +1  111.5795971 +1  119.6173532 +1    11     9    36
  H     1.09541358 +1  111.8687540 +1   63.7826811 +1    12     2     1
  H     1.09544347 +1  112.1071286 +1  120.6372217 +1    12     2    38
  H     1.09596186 +1  111.1117635 +1  119.4953022 +1    12     2    39
  H     1.11063930 +1  108.2830871 +1 -123.3977848 +1    13     4    14
  H     1.10966785 +1  110.6936169 +1 -113.1130676 +1    13     4    41
  H     1.11777186 +1  109.7506585 +1  118.8700586 +1    14    13    16
  H     1.09487752 +1  111.8118794 +1   60.5709541 +1    15    14    13
  H     1.09574549 +1  111.8820692 +1 -121.0483278 +1    15    14    44
  H     1.09649024 +1  110.9516672 +1 -119.1355078 +1    15    14    45
  H     1.09527648 +1  111.7318953 +1   61.6187303 +1    16    14    13
  H     1.09567626 +1  111.5386724 +1 -120.6136560 +1    16    14    47
  H     1.09587187 +1  111.0660110 +1 -119.7183486 +1    16    14    48
  H     1.10960067 +1  110.6514577 +1  123.4074523 +1    17     6    18
  H     1.11044628 +1  108.3488412 +1  113.1812080 +1    17     6    50
  H     1.11737861 +1  109.7927882 +1 -120.2508836 +1    18    17    20
  H     1.09558050 +1  111.5195631 +1  -59.1430392 +1    19    18    17
  H     1.09524564 +1  111.7134448 +1  120.6458689 +1    19    18    53
  H     1.09586640 +1  111.0479527 +1  119.6608182 +1    19    18    54
  H     1.09575722 +1  111.8341259 +1  -60.4736128 +1    20    18    17
  H     1.09483353 +1  111.7967762 +1  121.0976599 +1    20    18    56
  H     1.09649827 +1  111.0075816 +1  119.8023315 +1    20    18    57