%chk=000202056.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202056

1 1
O -0.348371 -1.543454 -0.215336
N -2.539298 0.551012 -0.053359
C -3.515419 0.193073 -1.183461
C -2.962945 1.889000 0.573934
C -1.096395 0.696186 -0.626587
C -2.579429 -0.555453 1.014452
C -4.975468 0.177456 -0.722988
C -4.418534 1.882408 1.046251
C -5.379341 1.507586 -0.083776
C -0.591875 -0.601918 -1.288584
C -1.656255 -0.298827 2.212724
C -0.985768 1.838965 -1.627036
C -1.971474 -1.277741 3.337245
C 0.859208 -2.259053 -0.334629
C 1.976017 -1.839123 0.408600
C 0.861111 -3.415867 -1.120283
C 1.931967 -0.605243 1.260690
C 3.128804 -2.637288 0.345701
C 2.022199 -4.190917 -1.160131
C 3.151469 -3.798861 -0.431289
C 2.132635 0.685614 0.511006
C 2.671553 0.719803 -0.782694
C 1.774537 1.890922 1.141364
C 2.842026 1.941567 -1.440992
C 1.949896 3.108250 0.479867
C 2.475291 3.136939 -0.816470
H -3.394168 0.936891 -2.005628
H -3.232302 -0.801033 -1.602135
H -2.814815 2.700915 -0.179927
H -2.281952 2.113460 1.429574
H -0.429929 0.912661 0.261192
H -3.633089 -0.669427 1.361417
H -2.293544 -1.528892 0.537201
H -5.163705 -0.661096 -0.020772
H -5.625569 -0.035678 -1.600779
H -4.671162 2.891869 1.440737
H -4.552379 1.198662 1.910386
H -6.416942 1.440411 0.307591
H -5.411910 2.310816 -0.847762
H -1.326532 -1.079660 -1.960537
H 0.341414 -0.403015 -1.855132
H -1.752978 0.740828 2.585762
H -0.584781 -0.433414 1.902692
H -1.407598 1.608836 -2.613852
H 0.082148 2.088249 -1.794349
H -1.445858 2.777057 -1.282070
H -1.297831 -1.125247 4.193099
H -2.994054 -1.169269 3.718651
H -1.844361 -2.323350 3.023919
H -0.029343 -3.708760 -1.671661
H 0.947911 -0.583284 1.801230
H 2.700940 -0.667887 2.067094
H 4.018304 -2.347454 0.908678
H 2.048153 -5.103147 -1.758514
H 4.057519 -4.407240 -0.467498
H 2.989167 -0.203024 -1.269609
H 1.397516 1.883773 2.162058
H 3.280772 1.961657 -2.439769
H 1.694111 4.041626 0.982161
H 2.624606 4.088833 -1.325269


%chk=000202056-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202056

1 1
O 0.002227 -1.284614 -0.026086
N -2.626845 0.606169 -0.149645
C -3.709514 0.150197 -1.157701
C -3.000613 2.015160 0.370627
C -1.206933 0.692983 -0.856727
C -2.579463 -0.405151 1.032549
C -5.147093 0.233075 -0.608020
C -4.408890 2.072262 0.983121
C -5.475701 1.633721 -0.045142
C -0.618296 -0.686869 -1.216811
C -1.746365 0.022880 2.251200
C -1.212940 1.571492 -2.126250
C -1.627646 -1.170749 3.228368
C 1.070790 -2.204585 -0.271858
C 2.271341 -1.996161 0.456937
C 0.910503 -3.288797 -1.159790
C 2.433077 -0.810202 1.397495
C 3.312043 -2.939341 0.272875
C 1.970430 -4.207597 -1.331559
C 3.171890 -4.035140 -0.609309
C 2.308858 0.568468 0.741877
C 2.772738 0.807441 -0.577698
C 1.778722 1.660030 1.478242
C 2.700138 2.099747 -1.148103
C 1.705668 2.954723 0.912941
C 2.162566 3.179415 -0.407437
H -3.611373 0.808999 -2.035734
H -3.460034 -0.880763 -1.458866
H -2.955172 2.694282 -0.495387
H -2.215821 2.311399 1.083875
H -0.551963 1.151107 -0.094996
H -3.623416 -0.583929 1.333480
H -2.169055 -1.340315 0.621062
H -5.327391 -0.542678 0.158078
H -5.822548 -0.010936 -1.448929
H -4.585509 3.116308 1.300697
H -4.470834 1.455795 1.898867
H -6.476239 1.627187 0.420370
H -5.514606 2.369615 -0.873064
H -1.381657 -1.365723 -1.651098
H 0.160214 -0.525151 -1.985664
H -2.218956 0.875358 2.774578
H -0.732974 0.327907 1.939566
H -1.633209 1.050681 -3.004364
H -0.160916 1.813343 -2.355432
H -1.730509 2.535980 -2.007184
H -1.072899 -0.872742 4.134402
H -2.619278 -1.536320 3.553654
H -1.086264 -2.010669 2.758019
H -0.032954 -3.432699 -1.698317
H 1.692641 -0.876398 2.218358
H 3.429088 -0.882170 1.876702
H 4.250021 -2.804509 0.824141
H 1.852175 -5.054096 -2.015600
H 3.994777 -4.746000 -0.732785
H 3.209972 -0.016897 -1.153417
H 1.453101 1.501764 2.515048
H 3.087170 2.269979 -2.159351
H 1.319513 3.789696 1.508778
H 2.128114 4.184744 -0.841185


