%chk=000248592.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248592

0 1
O 6.842399 -0.680384 0.144095
N -4.748149 -1.379302 -0.599129
N -5.850809 -1.838591 0.057843
C -1.771072 0.062079 -0.080394
C -0.839426 1.246544 -0.488485
C 0.564840 1.079320 0.105035
C 1.177934 -0.239246 -0.443698
C 2.578672 -0.499535 0.210842
C -3.139629 0.564371 -0.662862
C -1.208688 -1.207196 -0.744727
C 0.236099 -1.452350 -0.274950
C -1.655417 2.499754 -0.130294
C -3.126594 2.095399 -0.387701
C 1.465021 2.268293 -0.281004
C 3.430585 0.766145 0.142551
C -1.888879 -0.136404 1.435360
C 3.264361 -1.644795 -0.585918
C 2.917463 1.986795 -0.063499
C 2.440726 -0.884716 1.695537
C -4.327170 -0.132530 -0.103440
C 4.903341 0.604992 0.403254
C 4.732403 -1.853860 -0.211229
C 5.511018 -0.546544 -0.404439
C -5.226828 0.192500 0.914906
C -6.159907 -0.890901 0.984273
H -0.730717 1.232628 -1.604407
H 0.504531 1.021702 1.217323
H 1.345763 -0.092504 -1.539970
H -3.127933 0.415270 -1.772196
H -1.236249 -1.114112 -1.845433
H -1.830033 -2.085776 -0.493355
H 0.218354 -1.762510 0.790912
H 0.651136 -2.314903 -0.830834
H -1.359736 3.367903 -0.738637
H -1.503362 2.790576 0.922556
H -3.755095 2.353654 0.480873
H -3.549348 2.641254 -1.245954
H 1.163027 3.162547 0.300842
H 1.310526 2.540507 -1.346810
H -0.912160 -0.315854 1.898600
H -2.326531 0.740685 1.924791
H -2.531746 -0.991152 1.676081
H 3.190913 -1.427183 -1.669685
H 2.708670 -2.588273 -0.425257
H 3.553546 2.871430 -0.092737
H 3.414338 -1.124207 2.137602
H 2.011098 -0.061041 2.277463
H 1.793906 -1.758732 1.829404
H 5.466722 1.535860 0.189600
H 5.072404 0.418072 1.487434
H 4.822455 -2.185675 0.842652
H 5.170359 -2.664694 -0.820025
H 5.611237 -0.285003 -1.479976
H -5.230404 1.066584 1.529313
H -4.328366 -1.927132 -1.332764
H 7.323544 -1.408586 -0.283870
H -6.998542 -0.987677 1.652938


%chk=000248592-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248592

0 1
O 6.996032 -0.650508 -0.162165
N -4.754690 -1.340212 -0.813891
N -5.939290 -1.881400 -0.324165
C -1.810182 0.086819 0.063817
C -0.853323 1.241654 -0.358656
C 0.582596 1.094696 0.177482
C 1.176754 -0.273779 -0.291110
C 2.627636 -0.521721 0.276598
C -3.141430 0.598357 -0.610905
C -1.242062 -1.228417 -0.517655
C 0.212633 -1.469056 -0.027612
C -1.652059 2.532755 -0.044187
C -3.148255 2.134049 -0.296294
C 1.476940 2.253320 -0.322985
C 3.486453 0.751807 0.123495
C -2.000071 -0.022934 1.598128
C 3.298224 -1.666428 -0.561986
C 2.954089 1.971256 -0.160545
C 2.593130 -0.927780 1.783150
C -4.405387 -0.125923 -0.232878
C 4.990919 0.594436 0.317894
C 4.805945 -1.855173 -0.278304
C 5.571793 -0.545109 -0.535987
C -5.431891 0.141001 0.694660
C -6.340926 -0.958464 0.602205
H -0.772742 1.175995 -1.470349
H 0.566826 1.125604 1.286683
H 1.289416 -0.185356 -1.397342
H -2.992443 0.478808 -1.707301
H -1.249779 -1.164790 -1.627715
H -1.869799 -2.096895 -0.231998
H 0.184991 -1.696801 1.053811
H 0.606356 -2.376794 -0.523700
H -1.337371 3.382110 -0.676023
H -1.498936 2.839017 1.008159
H -3.764773 2.344848 0.594986
H -3.595197 2.700470 -1.132150
H 1.216709 3.189351 0.211450
H 1.253699 2.453292 -1.395653
H -1.052461 -0.244016 2.117410
H -2.404640 0.909312 2.030581
H -2.713926 -0.832075 1.836427
H 3.163339 -1.433016 -1.639148
H 2.771957 -2.621158 -0.372784
H 3.635238 2.827477 -0.278898
H 3.603761 -0.921278 2.225870
H 1.976336 -0.222410 2.368436
H 2.181729 -1.944596 1.919446
H 5.510833 1.538604 0.076545
H 5.234781 0.357329 1.373757
H 4.976580 -2.161786 0.771681
H 5.205091 -2.666590 -0.921561
H 5.483330 -0.281899 -1.614815
H -5.517143 1.009504 1.343497
H -4.250303 -1.847515 -1.538304
H 7.404893 -1.395610 -0.672098
H -7.265331 -1.128889 1.151396


