%chk=000206949.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206949

0 1
O 0.512084 -1.248358 1.495325
O 4.558347 -1.516406 -1.201261
N 0.162403 0.684284 0.359078
C -3.718726 0.556709 0.492730
C -3.704327 -1.669193 0.039244
C -2.280694 0.318772 -0.073961
C -2.244583 -1.231881 -0.307459
C -3.993263 -0.761669 1.270946
C -4.714880 0.428002 -0.694931
C -4.699362 -1.093359 -1.007362
C -1.211188 0.799820 0.921581
C -1.783841 -1.621909 -1.705421
C 0.603630 1.750282 -0.571933
C 0.955463 -0.406450 0.721786
C 1.426471 2.824518 0.160728
C 2.349305 -0.488782 0.130061
C 1.883875 3.923093 -0.806669
C 3.104054 -1.691069 0.694449
C 2.699062 4.996894 -0.090537
C 4.318397 -2.040438 -0.136029
C 5.213907 -3.095330 0.450325
H -3.831360 1.481495 1.067381
H -3.809628 -2.746726 0.202395
H -2.155271 0.856577 -1.036153
H -1.550468 -1.702844 0.433713
H -3.316135 -0.932024 2.116061
H -5.017769 -0.844728 1.650201
H -5.719394 0.769681 -0.405581
H -4.410069 1.030757 -1.560976
H -4.377363 -1.298957 -2.038232
H -5.697183 -1.539678 -0.888692
H -1.395201 1.857011 1.209232
H -1.260548 0.195902 1.861747
H -2.411144 -1.178825 -2.487502
H -0.752634 -1.296455 -1.882389
H -1.813431 -2.709413 -1.839056
H -0.291425 2.212373 -1.047444
H 1.193059 1.307018 -1.405741
H 0.828432 3.263973 0.982619
H 2.304965 2.362738 0.653514
H 2.295131 -0.569446 -0.980449
H 2.917062 0.445956 0.324181
H 1.005056 4.387670 -1.296095
H 2.488255 3.480991 -1.623923
H 3.384478 -1.509140 1.752269
H 2.418858 -2.571181 0.751396
H 3.602222 4.580143 0.370383
H 3.020519 5.779786 -0.787376
H 2.121005 5.483169 0.703720
H 5.979839 -3.411132 -0.274490
H 5.745773 -2.724121 1.336274
H 4.660834 -3.992101 0.755724


%chk=000206949-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206949

0 1
O 0.571483 -1.320655 1.647761
O 4.079138 -2.409931 -1.262790
N 0.228618 0.602488 0.381407
C -3.670188 0.441253 0.697022
C -3.595442 -1.657393 -0.192236
C -2.275508 0.404726 -0.015070
C -2.188840 -1.077341 -0.558662
C -3.812971 -1.023364 1.212491
C -4.774981 0.486226 -0.400593
C -4.717613 -0.961154 -1.020109
C -1.129309 0.781389 0.955628
C -1.773069 -1.191504 -2.036682
C 0.693267 1.631275 -0.576462
C 1.007682 -0.466423 0.803713
C 1.347836 2.861026 0.100468
C 2.411526 -0.605278 0.190223
C 1.752765 3.946007 -0.923340
C 3.239310 -1.678023 0.914372
C 2.410033 5.174912 -0.259151
C 4.174973 -2.459281 -0.005448
C 5.229304 -3.321776 0.678425
H -3.762758 1.238680 1.455907
H -3.630369 -2.759466 -0.237707
H -2.276980 1.118332 -0.865914
H -1.442974 -1.625028 0.050147
H -3.040707 -1.317814 1.945010
H -4.811632 -1.231835 1.637894
H -5.765049 0.689648 0.047830
H -4.580309 1.276771 -1.148862
H -4.503489 -0.952642 -2.102948
H -5.678387 -1.490824 -0.883122
H -1.240330 1.840115 1.267127
H -1.177614 0.148975 1.858239
H -2.434925 -0.603670 -2.700238
H -0.741600 -0.819064 -2.182792
H -1.798168 -2.242887 -2.380394
H -0.182182 1.965363 -1.165598
H 1.398021 1.182408 -1.298254
H 0.643280 3.292189 0.839494
H 2.241069 2.537553 0.671761
H 2.321876 -0.907058 -0.874345
H 2.939849 0.365106 0.192162
H 0.855821 4.267772 -1.491499
H 2.450508 3.508287 -1.666397
H 3.819412 -1.259765 1.759399
H 2.531677 -2.396084 1.385239
H 3.326111 4.887130 0.289841
H 2.691153 5.936222 -1.009347
H 1.721247 5.650410 0.463977
H 5.640461 -4.058567 -0.029120
H 6.056713 -2.676498 1.034081
H 4.814863 -3.834940 1.564860


