Accuracy

quinoline    544 Quinoline

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    #  Species Formula
   534 N-Ethyl anilineC8H11N
   535 3-Azabicyclo[3.2.2]nonaneC8H15N
   536 n-Heptyl cyanideC8H15N
   537 N-(2-Methylpropylidene)-butylamineC8H17N
   538 2-Methyl-N-(2-methylpropyl)-1-propanamineC8H19N
   539 Di-sec-butylamineC8H19N
   540 DibutylamineC8H19N
   541 N-(2-Methylpropyl)-1-butanamineC8H19N
   542 n-OctylamineC8H19N
   543 IsoquinolineC9H7N
   544 Quinoline C9H7N
   545 2,6-DimethylbenzonitrileC9H9N
   546 (1a,2a,4a)-Bicyclo[2.2.2]oct-5-ene-2-carbonitrileC9H11N
   547 (1a,2b,4a)-Bicyclo[2.2.2]oct-5-ene-2-carbonitrileC9H11N
   548 1,2,3,4-TetrahydroquinolineC9H11N
   549 5,6,7,8-TetrahydroquinolineC9H11N
   550 N,N-Dimethyl m-toluidineC9H13N
   551 N,N-Dimethyl p-toluidineC9H13N
   552 N-Ethyl m-toluidineC9H13N
   553 cis-3,7a-H-cis-5,8-H-3,5-DimethylpyrrolizidineC9H17N
   554 Decahydro trans-quinolineC9H17N


ΔHf: 47.9 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
Quinoline
 H=47.925 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.36957212 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.41934641 +1  120.6444763 +1    0.0000000 +0     2     1     0
  C     1.37117466 +1  120.6816201 +1    0.0084898 +1     3     2     1
  C     1.41947708 +1  120.1547812 +1    0.0077646 +1     4     3     2
  C     1.42598989 +1  119.6055453 +1    0.0053816 +1     1     2     3
  N     1.37671454 +1  118.3746906 +1 -179.9990797 +1     6     1     2
  C     1.31976133 +1  118.7548570 +1  179.9979565 +1     7     6     1
  C     1.42849270 +1  123.1637034 +1    0.0010222 +1     8     7     6
  C     1.42232310 +1  122.9456664 +1 -179.9992700 +1     5     4     3
  H     1.09083932 +1  122.2277476 +1 -179.9993569 +1     1     2     3
  H     1.08985699 +1  120.6575875 +1 -179.9989342 +1     2     1     6
  H     1.08932402 +1  118.6089168 +1  179.9990704 +1     3     2     1
  H     1.08894731 +1  121.0650408 +1  179.9999332 +1     4     3     2
  H     1.09765972 +1  116.6339134 +1 -179.9997643 +1     8     7     6
  H     1.08595937 +1  119.2496337 +1 -179.9982699 +1     9     8     7
  H     1.08974710 +1  119.0488522 +1    0.0014516 +1    10     5     4