%chk=000251685.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251685

0 1
O 2.017512 2.354116 -0.847327
O 6.057838 0.009472 0.111332
O -0.702704 -2.157724 -1.362674
O -2.738461 -2.039413 0.870122
O 0.392106 -2.655754 0.527755
N -1.883966 -0.017763 0.198334
C 4.096866 1.183591 -0.352038
C 1.901694 0.317737 0.386883
C 2.708308 1.302855 -0.242577
C 4.689264 0.043618 0.253940
C 2.539389 -0.781329 0.974109
C 3.928236 -0.921572 0.921387
C 0.455439 0.520687 0.419190
C 4.941112 2.161983 -1.093188
C -0.504128 -0.399738 0.191247
C -4.291080 -0.252708 0.419932
C -2.941850 -0.893841 0.524474
C 2.206753 3.646526 -0.217133
C -0.218790 -1.837398 -0.116936
C -4.757584 0.228066 -0.810362
C -5.096107 -0.183676 1.564377
C 6.763123 -1.144152 0.633178
C -6.033810 0.791958 -0.890240
C -6.369537 0.386145 1.477502
C -6.837070 0.874028 0.252625
H 1.944727 -1.545603 1.491492
H 4.392239 -1.782883 1.392226
H 0.169269 1.566979 0.603357
H 4.369664 2.676834 -1.878862
H 5.370549 2.915571 -0.419097
H 5.789975 1.656493 -1.582990
H -2.081050 0.952522 -0.048049
H 1.602077 4.301469 -0.855708
H 3.258372 3.943640 -0.233550
H 1.821306 3.618354 0.805738
H -4.135460 0.150654 -1.702879
H -4.732080 -0.581775 2.513190
H 7.800327 -0.913597 0.357314
H 6.648667 -1.199319 1.719496
H 6.419086 -2.057433 0.138791
H -6.404207 1.163623 -1.844787
H -6.999662 0.443492 2.364317
H -7.831658 1.314772 0.187111
H -0.569195 -3.122510 -1.578223


%chk=000251685-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251685

0 1
O 1.971262 2.424626 -0.586894
O 6.240971 0.230098 -0.169488
O -1.489207 -2.887428 -0.051357
O -2.760354 -1.162421 1.969097
O 0.483938 -2.806128 1.155290
N -1.830529 -0.225419 0.049918
C 4.125205 1.307880 -0.364989
C 1.997942 0.070383 0.131684
C 2.719302 1.260588 -0.249990
C 4.850004 0.122814 -0.040420
C 2.779289 -1.073116 0.465699
C 4.181270 -1.051510 0.385208
C 0.540507 0.162121 0.144125
C 4.857711 2.541935 -0.848453
C -0.507794 -0.730863 0.273815
C -4.243854 0.017127 0.440156
C -2.910043 -0.513291 0.889574
C 1.915739 3.436549 0.488889
C -0.422402 -2.192129 0.535761
C -4.557533 0.264488 -0.922734
C -5.231040 0.244362 1.433160
C 7.049223 -0.962531 0.108019
C -5.833125 0.753694 -1.281087
C -6.502248 0.737252 1.074390
C -6.805191 0.998720 -0.283576
H 2.270103 -1.970767 0.822410
H 4.741306 -1.948784 0.662669
H 0.205313 1.186706 -0.074312
H 4.160750 3.232638 -1.349394
H 5.352473 3.076027 -0.014504
H 5.657432 2.258748 -1.553478
H -1.963591 0.447865 -0.706526
H 1.342264 4.280242 0.075054
H 2.929946 3.774285 0.772710
H 1.403337 3.029533 1.382454
H -3.832235 0.031072 -1.711580
H -4.979277 0.019174 2.474800
H 8.087197 -0.655388 -0.085918
H 6.944008 -1.280325 1.162788
H 6.772666 -1.798247 -0.562537
H -6.072709 0.930935 -2.335327
H -7.257122 0.915306 1.848048
H -7.794149 1.378745 -0.563106
H -1.431256 -3.838570 0.232751


