PM7 Accuracy

1,1-dibutoxypropane   1197 1,1-Dibutoxypropane

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    #  Species Formula
  1187 Ethyl octanoateC10H20O2
  1188 1,10-DecanediolC10H22O2
  1189 1-Naphthoic acidC11H8O2
  1190 Isonaphthoic acidC11H8O2
  1191 2,3,4,5-Tetramethylbenzoic acidC11H14O2
  1192 2,3,4,6-Tetramethylbenzoic acidC11H14O2
  1193 2,3,5,6-Tetramethylbenzoic acidC11H14O2
  1194 p-tert-Butyl benzoic acidC11H14O2
  1195 Oxacyclododecan-2-oneC11H20O2
  1196 Ethyl nonanoateC11H22O2
  1197 1,1-Dibutoxypropane C11H24O2
  1198 5,5-Dimethyl-2-phenyl-1,3-dioxaneC12H16O2
  1199 Pentamethylbenzoic acidC12H16O2
  1200 2,2,6,6-Tetramethyl-3,5-heptanedioneC12H22O2
  1201 Ethyl decanoateC12H24O2
  1202 XanthoneC13H8O2
  1203 Phenyl benzoateC13H10O2
  1204 9,10-AnthroquinoneC14H8O2
  1205 9,10-PhenanthroquinoneC14H8O2
  1206 Nitrogen dioxide, cationNO2
  1207 Nitrogen dioxideNO2


DHf: -132.1 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
1,1-Dibutoxypropane
 H=-132.1 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52877600  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53124620  1  110.7283297  1    0.0000000  0     2     1     0
  C     1.53299206  1  110.4029443  1 -177.1998457  1     3     2     1
  O     1.41823387  1  104.5181877  1  177.2295919  1     4     3     2
  C     1.40826222  1  116.8862964  1  149.1792021  1     5     4     3
  O     1.40929745  1  110.7441416  1   88.0110412  1     6     5     4
  C     1.41781096  1  116.5212816  1  -72.0240051  1     7     6     5
  C     1.53277538  1  104.5264866  1 -152.9453512  1     8     7     6
  C     1.53143025  1  110.3358147  1 -178.0140416  1     9     8     7
  C     1.52876187  1  110.7227598  1  179.1379433  1    10     9     8
  C     1.53662006  1  104.5355642  1  111.2910891  1     6     5     7
  C     1.52349453  1  110.9246930  1  112.4263866  1    12     6     5
  H     1.09618501  1  111.4092427  1   60.0153401  1     1     2     3
  H     1.09588437  1  111.4506799  1 -119.9553695  1     1     2    14
  H     1.09531355  1  111.3210763  1 -120.0500202  1     1     2    15
  H     1.10711231  1  109.7429667  1 -121.7880293  1     2     1     3
  H     1.10646984  1  109.9184690  1 -116.2174380  1     2     1    17
  H     1.10775662  1  110.8123714  1  121.3888350  1     3     2     4
  H     1.10587798  1  110.9351046  1  116.5517192  1     3     2    19
  H     1.10473790  1  111.7257722  1 -115.7976619  1     4     3     5
  H     1.10243955  1  111.7524399  1 -123.3660700  1     4     3    21
  H     1.10728063  1  111.4169175  1  125.4704567  1     6     5    12
  H     1.10515053  1  107.2551947  1 -118.9417614  1     8     7     9
  H     1.10202348  1  111.3299005  1 -120.2395362  1     8     7    24
  H     1.10750096  1  109.4886122  1  122.1744029  1     9     8    10
  H     1.10592828  1  109.9148062  1  115.2169285  1     9     8    26
  H     1.10705729  1  110.0984800  1 -121.6234728  1    10     9    11
  H     1.10644495  1  110.2009494  1 -116.6078646  1    10     9    28
  H     1.09624792  1  111.3771033  1  -60.1053554  1    11    10     9
  H     1.09576816  1  111.4869263  1  119.9644238  1    11    10    30
  H     1.09531706  1  111.3089843  1  120.0740871  1    11    10    31
  H     1.11027815  1  109.3589679  1  122.6379230  1    12     6    13
  H     1.11035963  1  109.3023507  1  114.7845242  1    12     6    33
  H     1.09627477  1  111.7235467  1   59.6191189  1    13    12     6
  H     1.09671986  1  111.4890123  1 -120.7091312  1    13    12    35
  H     1.09686060  1  111.0279952  1 -119.5383188  1    13    12    36