%chk=000253758.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253758

0 1
O 4.427330 -0.818289 -1.188753
C 2.159708 -0.436536 -0.459692
C 1.501699 0.826485 0.184930
C 0.007286 0.883704 -0.153843
C 3.678097 -0.163906 -0.147937
C 2.409929 1.987790 -0.254361
C 1.517035 -1.681094 0.177770
C -0.668635 -0.364593 0.485958
C 3.828958 1.380258 -0.295978
C -0.008623 -1.663274 -0.030053
C -0.675761 2.151342 0.378842
C 1.995070 -0.502079 -1.986142
C 4.156797 -0.693442 1.217191
C -2.167107 -0.339830 0.270499
C -2.135432 2.191617 -0.087254
C -2.849542 0.870969 0.035170
C 5.617834 -0.369080 1.515560
C -2.913814 -1.524052 0.367857
C -4.244853 0.870174 -0.116046
C -4.300171 -1.523882 0.217050
C -4.977302 -0.320476 -0.030323
C -6.464783 -0.304907 -0.181299
H 1.591879 0.739571 1.298033
H -0.128649 0.844676 -1.261370
H 2.352205 2.837166 0.443026
H 2.115722 2.374332 -1.244786
H 1.739649 -1.733138 1.258516
H 1.945360 -2.598214 -0.268496
H -0.507537 -0.316156 1.595678
H 4.326794 1.606464 -1.254656
H 4.465354 1.804677 0.495056
H -0.241028 -1.791165 -1.106074
H -0.453226 -2.537891 0.482594
H -0.144141 3.054257 0.026755
H -0.627091 2.180897 1.483683
H 2.374625 0.400634 -2.475664
H 2.575143 -1.342639 -2.393576
H 0.950097 -0.633944 -2.282240
H 4.016715 -1.793819 1.238964
H 3.511226 -0.282917 2.017892
H -2.177516 2.513306 -1.150636
H -2.682184 2.970649 0.482502
H 5.381537 -0.817804 -0.979880
H 6.285324 -0.752142 0.733527
H 5.786232 0.712190 1.596497
H 5.934280 -0.820851 2.463256
H -2.405167 -2.468293 0.567235
H -4.765790 1.806841 -0.301207
H -4.852896 -2.456453 0.293690
H -6.802467 0.470702 -0.881036
H -6.856330 -1.261882 -0.549928
H -6.949742 -0.105452 0.785498


%chk=000253758-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253758

0 1
O 4.556766 -0.966271 -1.097143
C 2.210124 -0.444465 -0.510361
C 1.529140 0.809440 0.125972
C 0.018015 0.873921 -0.163118
C 3.724505 -0.174900 -0.158504
C 2.432359 1.993443 -0.307713
C 1.551942 -1.712195 0.088198
C -0.658590 -0.408475 0.415746
C 3.867537 1.372996 -0.415224
C 0.011475 -1.708500 -0.118022
C -0.671332 2.120362 0.432147
C 2.071370 -0.472350 -2.059713
C 4.117050 -0.571343 1.294441
C -2.186461 -0.370451 0.239423
C -2.134892 2.196911 -0.046720
C -2.877220 0.865207 0.058787
C 5.605072 -0.347525 1.651949
C -2.960644 -1.558344 0.299619
C -4.289520 0.866946 -0.053132
C -4.365853 -1.540334 0.184081
C -5.060052 -0.317545 0.008748
C -6.576378 -0.277682 -0.082529
H 1.624945 0.705642 1.230886
H -0.142565 0.899094 -1.262027
H 2.395228 2.826498 0.416729
H 2.102301 2.397587 -1.283661
H 1.748168 -1.759144 1.178112
H 1.988560 -2.625737 -0.360751
H -0.457107 -0.382163 1.513638
H 4.286104 1.522977 -1.426984
H 4.563124 1.846523 0.300896
H -0.242726 -1.840329 -1.187329
H -0.403969 -2.588380 0.408891
H -0.135293 3.041437 0.133472
H -0.632216 2.065235 1.540060
H 2.472515 0.442201 -2.529882
H 2.645618 -1.322488 -2.461875
H 1.020835 -0.578539 -2.376174
H 3.886737 -1.643501 1.436577
H 3.488083 -0.005747 2.009028
H -2.144708 2.524195 -1.108094
H -2.687541 2.974129 0.516411
H 5.509257 -0.795204 -0.888118
H 6.274026 -1.004477 1.062668
H 5.924590 0.699329 1.496134
H 5.783042 -0.591882 2.714674
H -2.460145 -2.522741 0.436213
H -4.803177 1.828569 -0.192567
H -4.928036 -2.481320 0.231569
H -6.922531 0.545764 -0.732546
H -6.981409 -1.222972 -0.485263
H -7.034024 -0.122899 0.914381


