%chk=000200199.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200199

0 1
O 2.981051 -1.061815 -0.915654
N 6.440916 -0.697758 0.191087
C -4.655103 0.721276 0.358040
C -3.162817 0.971329 0.183909
C -2.492912 -0.201614 -0.004943
C -4.761485 -0.777501 0.246757
C -3.458524 -1.320241 0.035355
C -1.058049 -0.399869 -0.210158
C -2.628335 2.332891 0.209200
C -5.872523 -1.601223 0.326741
C -3.277925 -2.692460 -0.080494
C -0.130894 0.128468 0.700265
C -0.599067 -1.127784 -1.327284
C -5.681793 -2.988234 0.199250
C -4.406869 -3.523995 0.001740
C 5.309421 -1.037039 -0.725675
C -1.692509 2.742645 -0.757386
C -3.049311 3.246087 1.191591
C 4.027962 -0.557031 -0.026884
C 1.672606 -0.789475 -0.598807
C 7.624953 -0.155050 -0.552548
C 6.813215 -1.874323 1.047091
C 1.241601 -0.062118 0.517792
C 0.759685 -1.326555 -1.532108
C -1.190874 4.045629 -0.740918
C -2.540955 4.547151 1.204243
C 7.325309 1.256736 -1.057695
C 7.574956 -1.396879 2.284145
C -1.613368 4.950444 0.238536
H -5.241228 1.241549 -0.423218
H -5.023893 1.091033 1.332464
H -6.866893 -1.193895 0.484716
H -2.285998 -3.115579 -0.225068
H -0.485167 0.697152 1.561745
H -1.321085 -1.531335 -2.038805
H 5.226021 -2.118472 -0.967439
H 5.407626 -0.520606 -1.705634
H -6.542854 -3.651725 0.258352
H -4.282661 -4.601640 -0.088522
H -1.358015 2.036396 -1.518019
H -3.766206 2.937714 1.949818
H 3.891475 -0.999826 0.972773
H 3.962889 0.541744 0.023427
H 7.940019 -0.807014 -1.395554
H 8.483911 -0.113233 0.155822
H 7.410765 -2.633752 0.497947
H 5.876898 -2.381805 1.371486
H 1.942952 0.352597 1.233673
H 1.135117 -1.881446 -2.388031
H -0.467288 4.356367 -1.492940
H -2.868430 5.248832 1.969402
H 8.225183 1.726589 -1.467328
H 6.953632 1.892856 -0.242681
H 6.558157 1.261628 -1.840349
H 7.708115 -2.212191 3.002453
H 7.032272 -0.586082 2.789617
H 8.566792 -1.005236 2.031292
H -1.220666 5.964889 0.249514


%chk=000200199-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200199

0 1
O 3.033205 -1.141204 -1.114010
N 6.533307 -0.748274 0.126167
C -4.651794 0.703462 0.587422
C -3.180480 0.996573 0.279996
C -2.520002 -0.191523 -0.022887
C -4.773956 -0.792553 0.383214
C -3.491692 -1.309677 0.028401
C -1.074093 -0.404154 -0.292176
C -2.673837 2.384083 0.267935
C -5.882768 -1.642957 0.518963
C -3.314881 -2.698733 -0.174110
C -0.082294 0.075515 0.602198
C -0.639826 -1.130560 -1.438403
C -5.709365 -3.033916 0.296375
C -4.434891 -3.553210 -0.041925
C 5.429348 -1.082987 -0.807023
C -1.595477 2.794644 -0.572554
C -3.301945 3.383186 1.069929
C 4.085586 -0.662125 -0.197373
C 1.700060 -0.861968 -0.782620
C 7.742908 -0.206459 -0.546640
C 6.827469 -1.847275 1.086085
C 1.291901 -0.144170 0.370729
C 0.726072 -1.352317 -1.688353
C -1.156846 4.133464 -0.591153
C -2.859809 4.722715 1.054023
C 7.553928 1.241194 -1.038070
C 7.435709 -1.347309 2.410451
C -1.780690 5.107280 0.225492
H -5.323241 1.283242 -0.076076
H -4.920352 0.985564 1.626146
H -6.867143 -1.246451 0.794382
H -2.329002 -3.108979 -0.416754
H -0.394674 0.627965 1.494858
H -1.382922 -1.501384 -2.153271
H 5.393772 -2.168493 -1.055732
H 5.566939 -0.544303 -1.760804
H -6.564116 -3.712885 0.393024
H -4.315944 -4.631488 -0.198604
H -1.114285 2.061306 -1.225975
H -4.137586 3.106612 1.722869
H 3.945585 -1.116483 0.804970
H 4.040391 0.439900 -0.098161
H 8.063775 -0.857214 -1.399252
H 8.569513 -0.222689 0.186517
H 7.498662 -2.617358 0.628013
H 5.873839 -2.362016 1.309077
H 2.024560 0.239557 1.086610
H 1.061051 -1.900489 -2.574317
H -0.330927 4.420926 -1.251842
H -3.357284 5.465894 1.687698
H 8.481330 1.613590 -1.512056
H 7.299321 1.899395 -0.189170
H 6.743090 1.319654 -1.785179
H 7.618619 -2.195925 3.095870
H 6.748230 -0.636420 2.901102
H 8.400499 -0.832037 2.252756
H -1.436747 6.147467 0.209322


