%chk=000219866.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219866

0 1
N -1.915976 -0.857258 0.370380
N 2.795006 -0.799509 0.333181
N -0.805097 1.037726 -0.555351
N 1.632895 1.203080 -0.652230
N 2.368265 -1.979307 0.923704
C -3.239190 -0.298512 0.180457
C -3.922382 0.227851 1.299483
C -3.837181 -0.320031 -1.097665
C -0.750720 -0.192652 0.058322
C 0.517117 -0.779202 0.345429
C 1.682332 -0.023414 -0.041547
C -3.288620 0.284908 2.663895
C -3.127566 -0.859158 -2.310155
C -5.229460 0.703288 1.128640
C -5.145935 0.169192 -1.231840
C 0.371570 1.677018 -0.875034
C -5.835596 0.673595 -0.128971
C 1.023783 -1.984943 0.939702
C 4.203105 -0.529165 0.179485
C -3.567824 -0.987133 3.462984
C -3.250022 -2.379649 -2.397260
C 0.245050 3.029187 -1.532130
C 4.631481 0.714960 -0.312327
C 5.137786 -1.524010 0.528638
C 0.232999 4.132021 -0.476460
C 6.000541 0.954584 -0.453693
C 6.499344 -1.261055 0.380336
C 6.935906 -0.025267 -0.110213
H -1.866774 -1.726265 0.896070
H -2.194960 0.457966 2.583766
H -3.669439 1.167654 3.220729
H -3.537147 -0.395182 -3.231617
H -2.057614 -0.559357 -2.297715
H -5.773576 1.103621 1.982326
H -5.626262 0.155374 -2.209093
H -6.851052 1.049517 -0.249856
H 0.452649 -2.802091 1.350554
H -4.645445 -1.143892 3.599283
H -3.114002 -0.934132 4.459647
H -3.172124 -1.878687 2.966126
H -2.782618 -2.870553 -1.536319
H -2.760467 -2.762338 -3.300235
H -4.299060 -2.697057 -2.428154
H 1.088369 3.182457 -2.240199
H -0.689100 3.066376 -2.135222
H 3.914574 1.495136 -0.588128
H 4.802666 -2.489794 0.912669
H -0.613016 4.013913 0.213762
H 0.145607 5.119924 -0.942534
H 1.153857 4.125334 0.121233
H 6.336248 1.918333 -0.836346
H 7.226219 -2.027048 0.649247
H 7.999857 0.171147 -0.223553


%chk=000219866-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219866

0 1
N -1.914929 -0.715810 0.452582
N 2.797709 -0.795429 0.361254
N -0.746796 1.046863 -0.625255
N 1.697954 1.149373 -0.734393
N 2.375075 -1.958574 1.037937
C -3.246096 -0.181891 0.259400
C -3.979513 0.205580 1.418876
C -3.815846 -0.104768 -1.044075
C -0.725690 -0.128775 0.066258
C 0.533228 -0.741230 0.383751
C 1.700382 -0.035374 -0.049267
C -3.373277 0.105985 2.812817
C -3.078146 -0.582510 -2.285900
C -5.303162 0.681673 1.255480
C -5.136074 0.395826 -1.162110
C 0.445559 1.630759 -0.991843
C -5.880354 0.782843 -0.027184
C 1.021118 -1.915241 1.044130
C 4.204554 -0.564337 0.194514
C -3.546752 -1.297791 3.456330
C -3.005652 -2.129394 -2.391722
C 0.338779 2.950055 -1.724060
C 4.668103 0.595871 -0.475815
C 5.120664 -1.514512 0.711242
C -0.138910 4.088322 -0.784100
C 6.057645 0.793726 -0.623667
C 6.504503 -1.297693 0.553196
C 6.982786 -0.145281 -0.113694
H -1.833283 -1.523608 1.072997
H -2.298242 0.363985 2.778437
H -3.857142 0.851998 3.469972
H -3.598062 -0.189503 -3.179917
H -2.058885 -0.158578 -2.301763
H -5.872116 0.988734 2.141288
H -5.583614 0.470344 -2.160388
H -6.900800 1.164465 -0.143325
H 0.479331 -2.732769 1.518459
H -4.616076 -1.563168 3.535378
H -3.107879 -1.321774 4.470284
H -3.057784 -2.093834 2.861473
H -2.457735 -2.560884 -1.535263
H -2.479821 -2.430593 -3.316169
H -4.017006 -2.574712 -2.410529
H 1.325613 3.192775 -2.152497
H -0.388210 2.837758 -2.549743
H 3.945348 1.315947 -0.866645
H 4.737806 -2.399539 1.223672
H -1.119954 3.835180 -0.346262
H -0.237281 5.035646 -1.343873
H 0.581842 4.247201 0.038098
H 6.415540 1.690316 -1.141955
H 7.211122 -2.033366 0.953140
H 8.059425 0.017212 -0.233349


