%chk=000190924.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190924

0 1
I -7.277523 0.558150 -3.100447
O -0.412952 3.390148 0.343405
N 0.909028 0.846405 -0.090471
N -2.808292 -0.027237 0.336108
C 3.633813 -0.256752 -0.134117
C -0.577072 0.966166 -0.044336
C 3.050827 0.469537 1.092596
C 2.897594 0.181385 -1.413781
C 1.523394 0.326642 1.172643
C 1.372859 0.055795 -1.276807
C -0.949872 2.165910 0.870307
C -1.336843 -0.298978 0.427681
C 5.138204 -0.001558 -0.254747
C -2.468986 2.373002 0.870768
C 3.595729 -1.782322 0.042987
C -3.205729 1.087145 1.260998
C 5.829769 -1.245782 -0.153720
C 4.832468 -2.316448 0.029287
C -3.584729 -1.276646 0.636240
C 5.834799 1.179794 -0.432677
C 7.213426 -1.298267 -0.231513
C 7.239822 1.123256 -0.511284
C -5.039197 -1.097856 0.269804
C 7.915861 -0.092884 -0.412508
C -5.393799 -0.484073 -0.944235
C -6.040937 -1.576916 1.126360
C -6.739497 -0.366395 -1.272193
C -7.387622 -1.448934 0.772193
C -7.747856 -0.840352 -0.434943
H -0.924601 1.219107 -1.085338
H 3.318872 1.544305 1.036848
H 3.513375 0.083678 2.020391
H 3.246489 -0.414643 -2.278131
H 3.161032 1.235164 -1.638523
H 1.254189 -0.730916 1.381570
H 1.140590 0.934458 2.022689
H 0.887155 0.475890 -2.185656
H 1.080781 -1.014585 -1.220440
H -0.543118 2.043484 1.897930
H -1.095115 -1.145569 -0.249906
H -1.011711 -0.595497 1.446385
H -2.788755 2.713113 -0.137684
H -2.736336 3.199883 1.555268
H 2.657388 -2.290954 0.156772
H -3.022096 0.847335 2.330047
H -4.302895 1.244371 1.148759
H 5.110498 -3.350910 0.130367
H -3.481476 -1.607989 1.693464
H -3.170225 -2.101664 0.007336
H 5.319364 2.133846 -0.511330
H 0.500985 3.239076 0.005881
H 7.746419 -2.241927 -0.155646
H 7.801710 2.045103 -0.651403
H 9.002595 -0.114591 -0.475985
H -4.606386 -0.099397 -1.600726
H -5.776699 -2.050820 2.070111
H -8.162665 -1.823990 1.439661
H -8.799057 -0.742393 -0.707012


%chk=000190924-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190924

0 1
I -7.083039 0.567387 -3.289685
O -0.194281 3.311717 0.354375
N 0.882742 0.756105 -0.017414
N -2.852789 -0.009078 0.517365
C 3.678465 -0.271746 -0.151066
C -0.597538 0.908604 0.065645
C 3.085633 0.450032 1.103531
C 2.878460 0.208929 -1.406430
C 1.559375 0.264004 1.212822
C 1.356931 0.039306 -1.229677
C -0.940697 2.175231 0.887726
C -1.400839 -0.303047 0.605665
C 5.179086 -0.004688 -0.300921
C -2.449113 2.443023 0.814569
C 3.653534 -1.798677 -0.003589
C -3.228844 1.202693 1.296390
C 5.896426 -1.238607 -0.243402
C 4.916765 -2.325838 -0.058554
C -3.691149 -1.181295 0.854411
C 5.863598 1.209010 -0.473601
C 7.303703 -1.262264 -0.359297
C 7.278728 1.188248 -0.590514
C -5.128299 -1.058415 0.352087
C 7.990010 -0.035610 -0.533804
C -5.386997 -0.437877 -0.897143
C -6.205765 -1.602038 1.091242
C -6.706807 -0.379869 -1.383489
C -7.524363 -1.538726 0.587123
C -7.789912 -0.925803 -0.659477
H -0.947774 1.100246 -0.968102
H 3.308124 1.531931 1.029513
H 3.575808 0.067120 2.017848
H 3.216791 -0.349519 -2.298844
H 3.096710 1.280860 -1.576163
H 1.330583 -0.811922 1.405631
H 1.181546 0.836480 2.078823
H 0.835945 0.464358 -2.107179
H 1.103377 -1.049254 -1.193475
H -0.659147 2.004553 1.954622
H -1.186882 -1.203003 -0.002367
H -1.090147 -0.525311 1.659498
H -2.721543 2.680979 -0.230004
H -2.706562 3.317878 1.438855
H 2.731957 -2.371576 0.125374
H -3.040740 1.041712 2.390743
H -4.313381 1.369061 1.173483
H 5.176624 -3.385217 0.019458
H -3.708962 -1.387256 1.955258
H -3.224271 -2.067304 0.378212
H 5.325016 2.163323 -0.519230
H 0.671307 2.907302 0.048109
H 7.857281 -2.207198 -0.315995
H 7.827271 2.127139 -0.726141
H 9.082074 -0.029819 -0.626180
H -4.545726 -0.004869 -1.446405
H -6.015003 -2.073430 2.063048
H -8.355379 -1.959839 1.163533
H -8.810924 -0.873234 -1.047514


