PM7 Accuracy

n-(3-phenoxy-2-hydroxypropyl)aniline   1281 N-(3-Phenoxy-2-hydroxypropyl)aniline

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    #  Species Formula
  1271 4-Hydroxy-2,2,6,6-tetramethyl-1-piperidinyloxyC9H18NO2
  1272 1-Hydroxy-2,2,6,6-tetramethyl-4-piperidinolC9H19NO2
  1273 1-Nitroso-2-naphthalenolC10H7NO2
  1274 1-Nitroso-4-naphthalenolC10H7NO2
  1275 2-Nitroso-1-naphthalenolC10H7NO2
  1276 N,N-Dimethyl 4-methoxybenzamideC10H13NO2
  1277 1-NitroadamantaneC10H15NO2
  1278 2-NitroadamantaneC10H15NO2
  1279 Phenol, 2-[(phenylimino)methyl]-, N-oxideC13H11NO2
  1280 Benzenamine, N-[(4-methoxyphenyl)methylene]-, N-oxideC14H13NO2
  1281 N-(3-Phenoxy-2-hydroxypropyl)aniline C15H17NO2
  1282 NH2-NO2 (Geo)H2N2O2
  1283 OxalamideC2H4N2O2
  1284 HCONH2-HCONH2 (Geo)C2H6N2O2
  1285 N-NitrodimethylamineC2H6N2O2
  1286 Acetyl-ureaC3H6N2O2
  1287 PropanediamideC3H6N2O2
  1288 Pyrazine-1,4-dioxideC4H4N2O2
  1289 UracilC4H4N2O2
  1290 ThymineC5H6N2O2
  1291 m-NitroanilineC6H6N2O2


DHf: -44.1 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
N-(3-Phenoxy-2-hydroxypropyl)aniline
 H=-44.1 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39062263  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.40475728  1  119.6951062  1    0.0000000  0     2     1     0
  N     1.40695537  1  122.6626914  1  174.9192261  1     3     2     1
  C     1.46509622  1  118.6749677  1   19.4708844  1     4     3     2
  C     1.54286616  1  112.6534882  1   70.3747410  1     5     4     3
  C     1.54186600  1  111.3950601  1 -160.4510931  1     6     5     4
  O     1.42545230  1  102.8526718  1   62.1405844  1     7     6     5
  C     1.36057244  1  117.5991916  1  175.6264572  1     8     7     6
  C     1.40440963  1  112.4025917  1 -178.0497641  1     9     8     7
  C     1.38711779  1  118.4749920  1 -179.5546419  1    10     9     8
  C     1.39303546  1  120.7570497  1    0.3866196  1     1     2     3
  C     1.39499656  1  119.5778602  1   -0.0092868  1    12     1     2
  C     1.38823958  1  120.6126527  1    0.0571800  1    13    12     1
  C     1.39276118  1  125.5979939  1 -179.6094969  1     9     8    10
  C     1.39581529  1  118.2980061  1  179.5494987  1    15     9     8
  C     1.39131351  1  120.6795005  1   -0.0325104  1    16    15     9
  O     1.40551246  1  110.8631584  1 -121.5988420  1     6     5     7
  H     1.08966827  1  119.4262502  1  179.7167177  1     1     2    12
  H     1.08711913  1  119.4808010  1 -179.8951739  1     2     1     3
  H     1.01738093  1  114.9149446  1  137.8767676  1     4     3     5
  H     1.11373555  1  107.7660626  1  122.2114798  1     5     4     6
  H     1.11711048  1  109.5109828  1  114.4404339  1     5     4    22
  H     1.11741006  1  111.6429441  1 -113.7910004  1     6     5    18
  H     1.10454807  1  110.9381481  1  117.9812486  1     7     6     8
  H     1.10134420  1  112.7061508  1  123.9209722  1     7     6    25
  H     1.08689400  1  119.8987643  1 -179.8675197  1    10     9    11
  H     1.08988638  1  119.8450897  1 -179.9717889  1    11    10     9
  H     1.08508116  1  120.2781100  1  179.9031539  1    12     1    13
  H     1.08947349  1  119.7362698  1  179.8676016  1    13    12    14
  H     1.08546486  1  120.1088336  1 -179.8846487  1    14    13    12
  H     1.08339318  1  121.8582161  1  179.9022065  1    15     9    16
  H     1.08969394  1  119.4295633  1  179.9661652  1    16    15    17
  H     1.08666485  1  120.1065661  1  179.9975980  1    17    16    15
  H     0.97772508  1  111.8832665  1   57.7699052  1    18     6     5