%chk=000271380.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271380

0 1
O 2.055820 0.968529 -2.030109
O 1.590119 -2.169332 1.274946
O -6.587157 -0.550921 0.965505
N 2.028591 -0.489139 -0.219052
N 0.850216 1.616386 -0.184998
N -4.503687 -0.561494 0.030007
C 3.483405 -0.876583 -0.386471
C 4.219288 -0.752739 0.960965
C 3.602145 -2.301484 -0.958300
C 0.313706 2.853447 -0.826590
C 5.698067 -1.117774 0.778329
C 5.082648 -2.661727 -1.139440
C 5.854778 -2.523748 0.180734
C 0.588873 4.061163 0.091584
C -1.190575 2.696922 -1.131305
C -0.300603 4.083851 1.340225
C -2.061168 2.723037 0.130110
C -1.786512 3.973485 0.974943
C 1.636942 0.729937 -0.909935
C 1.151682 -1.304889 0.540170
C -0.314471 -1.066422 0.378589
C -0.912446 -1.011022 -0.888419
C -1.116061 -0.993288 1.527359
C -2.289912 -0.851213 -1.013627
C -2.492489 -0.819475 1.418625
C -3.096334 -0.746400 0.141343
C -5.088207 -0.211467 -1.290054
C -5.397929 -0.732979 1.122811
H 3.925900 -0.152314 -1.125183
H 3.750049 -1.429791 1.707095
H 4.119906 0.269212 1.365874
H 3.066483 -2.374045 -1.921943
H 3.119084 -3.029774 -0.273327
H 0.867484 2.999256 -1.797639
H 6.194529 -0.373874 0.126038
H 6.216839 -1.064010 1.753871
H 5.168370 -3.697148 -1.519354
H 5.537980 -2.013686 -1.913014
H 5.487695 -3.277266 0.905146
H 6.924777 -2.747899 0.017764
H 0.428764 4.987265 -0.495701
H 1.656196 4.072335 0.387826
H -1.364872 1.756751 -1.689823
H -1.495852 3.516068 -1.811843
H -0.017216 3.261426 2.023908
H -0.120910 5.018381 1.906052
H -3.130232 2.688222 -0.154184
H -1.881871 1.810889 0.732357
H -2.103182 4.877618 0.419596
H -2.400870 3.951213 1.894368
H 0.478449 1.380916 0.731016
H -0.295003 -1.098197 -1.787990
H -0.652782 -1.077672 2.514898
H -2.730272 -0.824551 -2.008595
H -3.089709 -0.747791 2.325883
H -4.996863 -1.048979 -2.001251
H -4.604859 0.685212 -1.709806
H -6.170488 0.009412 -1.172889
H -4.928054 -1.029638 2.073504


%chk=000271380-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271380

0 1
O 2.191121 1.090099 -2.045502
O 1.551256 -1.753969 1.649300
O -6.740339 -1.630276 0.727814
N 1.973874 -0.420152 -0.231797
N 0.937291 1.734211 -0.189215
N -4.627310 -0.950495 -0.048453
C 3.369354 -0.957589 -0.436450
C 4.318253 -0.534894 0.713921
C 3.392445 -2.484203 -0.674248
C 0.541448 3.050534 -0.744743
C 5.761022 -1.017773 0.427683
C 4.841731 -2.946675 -0.967512
C 5.803617 -2.544285 0.176369
C 0.783087 4.167465 0.303604
C -0.936316 3.058945 -1.225420
C -0.224062 4.109613 1.480250
C -1.942908 3.000492 -0.050959
C -1.684950 4.136827 0.968348
C 1.695088 0.833840 -0.908281
C 1.107044 -1.040142 0.695668
C -0.376419 -0.929146 0.468206
C -0.951234 -0.819403 -0.823762
C -1.237709 -1.063349 1.586815
C -2.347177 -0.837207 -0.992365
C -2.634476 -1.050190 1.432235
C -3.210050 -0.951730 0.132288
C -5.227465 -0.272590 -1.217842
C -5.484396 -1.635155 0.823754
H 3.702341 -0.465590 -1.370519
H 3.949898 -0.974057 1.658974
H 4.299456 0.567288 0.824041
H 2.728634 -2.735489 -1.523938
H 3.012658 -3.012518 0.218818
H 1.203687 3.206786 -1.614583
H 6.157789 -0.490754 -0.465104
H 6.418948 -0.748792 1.276434
H 4.856500 -4.043928 -1.112951
H 5.192875 -2.491873 -1.917185
H 5.507703 -3.075170 1.104173
H 6.836459 -2.862891 -0.064044
H 0.671255 5.142783 -0.210644
H 1.824784 4.111294 0.671612
H -1.097801 2.216442 -1.923420
H -1.099369 3.993407 -1.800465
H -0.062625 3.189555 2.082516
H -0.040684 4.957335 2.167414
H -2.977212 3.066616 -0.441323
H -1.863919 2.018815 0.459383
H -1.877137 5.114475 0.479671
H -2.390274 4.058220 1.817703
H 0.633880 1.496035 0.755842
H -0.304013 -0.750586 -1.704547
H -0.791117 -1.174833 2.580452
H -2.765023 -0.782437 -2.001818
H -3.271272 -1.084221 2.321300
H -5.099569 -0.866434 -2.141586
H -4.769627 0.721295 -1.354543
H -6.305840 -0.168027 -1.020913
H -4.945006 -2.213353 1.600142


