%chk=000216708.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216708

0 1
O -3.517283 -3.335951 0.380719
N 1.175635 1.681928 0.551176
C -1.243346 1.058703 0.595645
C -0.571768 0.678624 1.959408
C -0.145843 1.918672 -0.111807
C -2.513166 1.900710 0.865995
C 0.822072 1.336542 1.965931
C -1.598394 -0.223202 -0.148495
C -3.433334 2.307884 -0.308263
C 1.960793 0.598389 -0.127910
C 3.406982 0.617565 0.395270
C -2.409332 -1.177713 0.494531
C -1.139929 -0.488829 -1.446825
C -2.693222 2.955615 -1.481837
C -4.309483 1.152209 -0.805267
C 4.274155 -0.408484 -0.343871
C -2.729654 -2.358541 -0.182969
C -1.476061 -1.680219 -2.102376
C 5.717508 -0.397606 0.177205
C -2.275605 -2.636402 -1.483252
C 6.589883 -1.422903 -0.560757
C 8.027575 -1.416048 -0.045786
H -1.171198 1.014171 2.818766
H -0.475048 -0.415557 2.065451
H -0.365940 3.001506 0.017314
H -0.097415 1.741315 -1.203131
H -3.139687 1.357772 1.603186
H -2.192393 2.830697 1.380855
H 0.809798 2.289950 2.535793
H 1.585061 0.690396 2.437658
H -4.125907 3.085789 0.116631
H 1.962985 0.807848 -1.219805
H 1.511611 -0.409308 0.001766
H 3.827285 1.636583 0.276587
H 3.422614 0.416964 1.483744
H -2.787822 -0.993840 1.493743
H -0.513089 0.239954 -1.961990
H -3.400803 3.371990 -2.208011
H -2.044626 3.773166 -1.151292
H -2.075723 2.228130 -2.020721
H -4.781199 0.613190 0.021708
H -5.106357 1.516523 -1.462004
H -3.732001 0.417435 -1.380122
H 4.266486 -0.196117 -1.430515
H 3.841201 -1.421217 -0.230925
H -1.105412 -1.860741 -3.112114
H 5.728905 -0.608504 1.263708
H 6.151518 0.614627 0.064275
H -2.550103 -3.568367 -1.968152
H 6.157304 -2.436182 -0.447369
H 6.581665 -1.210708 -1.647811
H -3.812100 -3.097741 1.292207
H 8.075189 -1.660568 1.021406
H 8.498655 -0.435343 -0.177868
H 8.642565 -2.149858 -0.578432


%chk=000216708-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216708

0 1
O -3.327858 -3.522696 0.428212
N 1.169587 1.732317 0.511203
C -1.232873 1.036026 0.541596
C -0.521194 0.688771 1.919423
C -0.146410 1.974971 -0.134941
C -2.554975 1.829261 0.866328
C 0.790668 1.536309 1.938761
C -1.546671 -0.264535 -0.230961
C -3.524032 2.331442 -0.251572
C 1.962815 0.611446 -0.068574
C 3.445649 0.673345 0.350414
C -2.267262 -1.289094 0.442744
C -1.179170 -0.498265 -1.580000
C -2.863449 3.206322 -1.344792
C -4.380502 1.213653 -0.899960
C 4.280886 -0.480411 -0.249575
C -2.613034 -2.491211 -0.212040
C -1.527318 -1.707487 -2.229394
C 5.770858 -0.427012 0.157295
C -2.248242 -2.714025 -1.559290
C 6.608960 -1.582781 -0.435619
C 8.096781 -1.520128 -0.027025
H -1.170365 0.920843 2.783583
H -0.277770 -0.386890 1.960767
H -0.430152 3.023750 0.075104
H -0.059797 1.875744 -1.227260
H -3.161930 1.202659 1.552436
H -2.239233 2.714187 1.460142
H 0.600236 2.529228 2.391231
H 1.605517 1.058035 2.507446
H -4.235729 2.990961 0.293522
H 1.903585 0.701697 -1.170533
H 1.547935 -0.394876 0.188659
H 3.857773 1.651139 0.033801
H 3.526380 0.642770 1.456429
H -2.565028 -1.142288 1.490537
H -0.619229 0.253226 -2.142841
H -3.638577 3.628151 -2.012005
H -2.296175 4.051111 -0.911519
H -2.173760 2.615032 -1.973858
H -4.860151 0.577303 -0.132999
H -5.181598 1.660916 -1.519112
H -3.778259 0.556868 -1.549545
H 4.204014 -0.453839 -1.357133
H 3.850495 -1.453959 0.066968
H -1.230603 -1.864664 -3.272554
H 5.850230 -0.449307 1.264641
H 6.204617 0.542755 -0.164734
H -2.526292 -3.653884 -2.044482
H 6.175096 -2.550737 -0.110889
H 6.526595 -1.561617 -1.541678
H -3.539245 -3.274153 1.362361
H 8.207870 -1.570510 1.072801
H 8.560730 -0.574841 -0.366851
H 8.673807 -2.356131 -0.463663


