%chk=000235453.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235453

0 1
O -2.222998 3.361058 0.224684
O -1.486603 2.305185 2.052256
O 1.508142 1.332170 -1.845921
N -2.436304 -1.160034 -1.952837
C -0.687272 1.608204 -0.191338
C -1.471677 0.414318 -0.613450
C -2.096846 -0.570384 0.239088
C 0.680123 1.209024 0.391500
C -2.694835 -1.548075 -0.625338
C -1.691569 0.032273 -1.931001
C -1.468271 2.396480 0.846594
C -2.217593 -0.727612 1.633380
C 1.704293 0.977667 -0.701236
C -3.394243 -2.664388 -0.123518
C 2.974191 0.291236 -0.310959
C -2.903495 -1.825286 2.122140
C -3.485254 -2.784881 1.251483
C 3.417529 0.215961 1.017208
C 3.746255 -0.283655 -1.334182
C 4.617145 -0.434361 1.317789
C 4.942401 -0.937929 -1.030480
C 5.377921 -1.013902 0.296155
H -0.517207 2.276095 -1.089818
H 0.565697 0.293986 1.015496
H 1.054537 1.991031 1.086207
H -1.363752 0.515994 -2.837636
H -2.728662 -1.650707 -2.774628
H -1.783227 0.017540 2.303614
H -3.839528 -3.392025 -0.792833
H -3.010054 -1.966152 3.196233
H -4.015174 -3.630434 1.688582
H 2.838538 0.665326 1.823874
H 3.401522 -0.207913 -2.369640
H -2.779344 3.886163 0.860543
H 4.960164 -0.490394 2.349902
H 5.535289 -1.385003 -1.827068
H 6.311363 -1.523176 0.535154


%chk=000235453-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235453

0 1
O -2.505445 3.115697 0.174160
O -1.126014 2.681679 1.983577
O 1.487983 1.145296 -1.939102
N -2.534457 -1.153910 -1.923225
C -0.660030 1.603420 -0.211438
C -1.504443 0.411540 -0.621981
C -2.154450 -0.555128 0.250756
C 0.710089 1.183781 0.372399
C -2.794103 -1.527879 -0.598479
C -1.758424 0.012073 -1.931257
C -1.410413 2.492647 0.777693
C -2.265403 -0.697631 1.661744
C 1.728177 0.862923 -0.726468
C -3.526467 -2.619701 -0.083265
C 3.033567 0.230718 -0.334959
C -2.993027 -1.786308 2.180145
C -3.616222 -2.737539 1.318617
C 3.381037 -0.028498 1.018765
C 3.955020 -0.109297 -1.363419
C 4.624928 -0.615067 1.335262
C 5.194203 -0.698567 -1.047110
C 5.532732 -0.953233 0.304622
H -0.475845 2.207601 -1.120265
H 0.590135 0.314345 1.043444
H 1.122182 1.996865 1.004884
H -1.423969 0.468693 -2.860328
H -2.846853 -1.656753 -2.750544
H -1.802526 0.030347 2.337375
H -4.009033 -3.350823 -0.741765
H -3.087187 -1.907480 3.265032
H -4.175711 -3.572805 1.754489
H 2.690323 0.228541 1.828313
H 3.670514 0.101338 -2.399754
H -2.989976 3.657298 0.854691
H 4.886526 -0.809675 2.380976
H 5.896944 -0.959641 -1.845861
H 6.496841 -1.411464 0.552273


