%chk=000244805.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244805

0 1
O -5.828847 1.243522 -0.662209
N 5.032741 -0.764287 -0.063604
N 5.488025 1.638369 0.212806
N 7.247228 0.069008 -0.027346
C -2.958459 -0.701742 0.401010
C -3.541784 0.600147 -0.234313
C -1.550035 -0.991788 -0.137970
C -0.626601 0.193885 0.268364
C 0.830929 -0.030298 -0.255275
C -5.016867 0.550411 0.305097
C -2.666487 1.775533 0.230324
C -1.204265 1.550195 -0.193935
C 1.350729 -1.385575 0.320089
C -4.062503 -1.753088 0.187649
C -1.001522 -2.314409 0.426471
C -5.385282 -0.964440 0.301862
C 0.431769 -2.562160 -0.052574
C 1.742305 1.099341 0.306870
C -3.594528 0.565835 -1.769254
C 0.882769 -0.010950 -1.789789
C 2.788810 -1.685180 -0.139834
C -5.238888 1.197535 1.670954
C 3.205612 0.810669 0.189728
C 3.699613 -0.503399 0.010131
C 4.151667 1.847184 0.281752
C 5.891787 0.319855 0.042734
H -2.866996 -0.538436 1.505534
H -1.583653 -1.065192 -1.250453
H -0.581038 0.213125 1.385648
H -2.720302 1.897473 1.327033
H -3.042050 2.722206 -0.201036
H -1.128478 1.625923 -1.298855
H -0.586445 2.374612 0.208249
H 1.360733 -1.291647 1.435380
H -4.005843 -2.560315 0.933609
H -3.973003 -2.232906 -0.801549
H -1.650337 -3.153694 0.113075
H -1.036198 -2.303810 1.532204
H -6.045894 -1.179044 -0.555818
H -5.942255 -1.251641 1.205134
H 0.819375 -3.498231 0.391726
H 0.440021 -2.721322 -1.148513
H 1.502346 1.271858 1.377819
H 1.503767 2.049963 -0.212604
H -4.118010 1.454781 -2.149679
H -2.595975 0.540949 -2.214690
H -4.151737 -0.301930 -2.136950
H 0.378935 0.873899 -2.197023
H 1.915267 0.008014 -2.155798
H 0.393531 -0.891296 -2.220322
H 2.801895 -2.007011 -1.205286
H 3.196001 -2.554100 0.421812
H -4.557958 0.789897 2.426390
H -5.074284 2.281251 1.620163
H -6.258512 1.041308 2.037279
H -6.745798 1.333989 -0.350714
H 3.842393 2.891933 0.416387
H 7.583117 -0.870058 -0.150448
H 7.906468 0.824280 0.044360


%chk=000244805-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244805

0 1
O -5.924931 1.448989 -0.466985
N 5.095371 -0.752297 0.026169
N 5.551973 1.651029 0.170862
N 7.290278 0.077471 0.056352
C -2.996286 -0.696496 0.325080
C -3.601404 0.619469 -0.254770
C -1.571829 -0.998660 -0.187811
C -0.637876 0.207295 0.163701
C 0.849318 -0.025472 -0.306801
C -5.050166 0.573952 0.353885
C -2.696117 1.796307 0.177707
C -1.232126 1.573340 -0.290550
C 1.358659 -1.366218 0.337812
C -4.111112 -1.755880 0.109363
C -1.019013 -2.306745 0.427832
C -5.446750 -0.943482 0.216162
C 0.443435 -2.569530 0.015254
C 1.750347 1.120080 0.252225
C -3.722439 0.585829 -1.805433
C 0.973195 -0.058725 -1.854212
C 2.824414 -1.684330 -0.038199
C -5.152169 1.048313 1.820214
C 3.239878 0.828968 0.167241
C 3.753163 -0.494127 0.066582
C 4.208346 1.862339 0.208546
C 5.936659 0.329835 0.085842
H -2.892963 -0.545987 1.424237
H -1.610008 -1.125211 -1.289982
H -0.600845 0.237767 1.280464
H -2.700268 1.885251 1.282886
H -3.079301 2.753057 -0.228012
H -1.184456 1.660220 -1.391901
H -0.610207 2.395861 0.111131
H 1.318388 -1.209491 1.439970
H -4.057933 -2.569021 0.854597
H -4.012955 -2.223442 -0.889045
H -1.656667 -3.161607 0.129977
H -1.081001 -2.233725 1.535278
H -6.059481 -1.065434 -0.695205
H -6.059267 -1.274564 1.075648
H 0.829256 -3.470367 0.534015
H 0.491766 -2.793087 -1.070284
H 1.472144 1.296860 1.314113
H 1.538212 2.066505 -0.282246
H -4.207362 1.511640 -2.155621
H -2.737227 0.499822 -2.293100
H -4.343822 -0.257023 -2.154015
H 0.591935 0.876382 -2.302359
H 2.027687 -0.156101 -2.167929
H 0.410818 -0.896934 -2.301508
H 2.876997 -2.072503 -1.076668
H 3.219339 -2.497805 0.599336
H -4.485034 0.477704 2.491017
H -4.905475 2.120610 1.907479
H -6.186511 0.903422 2.190848
H -6.820523 1.476237 -0.044022
H 3.897394 2.913447 0.270924
H 7.613025 -0.883374 -0.011677
H 7.938524 0.858640 0.097389


