%chk=000216016.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216016

0 1
O 3.449890 -1.640609 0.598236
N 1.758551 -0.320071 -0.118614
N -1.130435 0.004948 -0.766834
C 4.086174 0.470794 -0.373201
C 5.448729 0.523253 0.303390
C 4.437433 1.612526 0.571173
C 3.116800 -0.586078 0.076968
C 1.232797 0.883250 -0.809859
C 0.753113 -1.366238 0.212162
C -0.229851 1.147976 -0.406454
C -0.414047 -1.305817 -0.786498
C -2.441782 0.044575 -0.199564
C -3.016647 1.273274 0.199286
C -3.237418 -1.124228 -0.152781
C -4.345252 1.318105 0.623217
C -4.561425 -1.058018 0.273865
C -5.125516 0.159938 0.667330
H 4.031368 0.667339 -1.451380
H 6.332144 0.729388 -0.296453
H 5.670325 -0.212058 1.081428
H 3.954782 1.665070 1.546871
H 4.591332 2.609112 0.162758
H 1.307558 0.746566 -1.913970
H 1.850019 1.770417 -0.540631
H 0.396342 -1.208472 1.255119
H 1.243653 -2.369700 0.193177
H -0.278641 1.379842 0.682673
H -0.599728 2.043624 -0.958554
H -0.040700 -1.443576 -1.829217
H -1.112997 -2.153074 -0.596252
H -2.447954 2.196985 0.167789
H -2.820138 -2.083069 -0.459300
H -4.777309 2.272553 0.924480
H -5.162500 -1.966936 0.301349
H -6.157769 0.204509 1.000891


%chk=000216016-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216016

0 1
O 3.683050 -1.350991 0.697757
N 1.774160 -0.044034 0.444457
N -1.118459 -0.002500 0.213784
C 3.944118 0.770527 -0.439434
C 5.202368 0.282757 -1.193305
C 5.367216 1.046874 0.110776
C 3.135948 -0.279631 0.269645
C 1.066416 1.171978 -0.024627
C 0.938113 -1.100717 1.055362
C -0.370699 1.221755 0.536147
C -0.372079 -1.278549 0.270993
C -2.501503 0.010708 -0.034434
C -3.300676 1.170411 0.216414
C -3.157760 -1.151525 -0.550387
C -4.684221 1.164068 -0.053857
C -4.543498 -1.142966 -0.806580
C -5.323567 0.011962 -0.567149
H 3.415482 1.621160 -0.874511
H 5.446016 0.781641 -2.135355
H 5.378002 -0.795420 -1.159370
H 5.653663 0.467477 0.992354
H 5.724771 2.080006 0.081998
H 1.021234 1.191426 -1.132772
H 1.598220 2.081514 0.313374
H 0.715292 -0.855268 2.113109
H 1.530821 -2.030373 1.048484
H -0.337430 1.414949 1.631510
H -0.871504 2.087443 0.068270
H -0.145732 -1.662206 -0.747280
H -0.986040 -2.044368 0.785336
H -2.854377 2.070028 0.651934
H -2.582595 -2.054742 -0.775366
H -5.269547 2.067886 0.153088
H -5.015100 -2.048164 -1.207120
H -6.399203 0.012984 -0.770642


