%chk=000225566.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225566

0 1
N -5.093657 0.058885 0.773242
C 2.405841 -0.026587 0.006251
C 3.768347 -0.056663 -0.699209
C 1.250913 -0.042778 -1.004384
C 4.922833 -0.040478 0.311834
C -0.108498 -0.012560 -0.295524
C 6.285820 -0.070561 -0.392846
C -1.267889 -0.028984 -1.305109
C 7.440324 -0.054685 0.618199
C -2.591851 0.001292 -0.590810
C 8.803191 -0.084605 -0.086283
C -3.208028 1.232086 -0.277065
C -3.229562 -1.200445 -0.213857
C 9.959025 -0.068841 0.924067
C -4.471800 1.213827 0.411394
C -4.492517 -1.124105 0.472114
C -2.640055 2.517235 -0.606117
C -2.684543 -2.510798 -0.475421
C 11.318147 -0.098296 0.228356
C -5.123399 2.465279 0.744262
C -5.166032 -2.344867 0.869158
C -3.277575 3.675591 -0.276849
C -3.342320 -3.639032 -0.086777
C -4.541439 3.648751 0.410081
C -4.605246 -3.554202 0.597169
H 2.333868 0.873705 0.646962
H 2.318590 -0.891111 0.692692
H 3.857236 0.808109 -1.384745
H 3.841940 -0.957170 -1.339025
H 1.324991 -0.943296 -1.644293
H 1.340328 0.821915 -1.690106
H 4.850354 0.859883 0.952053
H 4.835038 -0.905076 0.997798
H -0.184528 0.887695 0.346404
H -0.199716 -0.876621 0.392512
H 6.359207 -0.970875 -1.032902
H 6.374681 0.794242 -1.078298
H -1.193846 -0.926255 -1.955215
H -1.178593 0.831492 -2.001392
H 7.352114 -0.919527 1.303706
H 7.367474 0.845548 1.258454
H 8.893340 0.779698 -0.771918
H 8.877943 -0.984280 -0.726781
H 9.886747 0.831978 1.564454
H 9.871495 -0.934501 1.609462
H -1.681755 2.534812 -1.127772
H -1.726900 -2.572368 -0.994950
H 11.437959 -0.998131 -0.385608
H 12.136305 -0.087210 0.957093
H 11.453514 0.767338 -0.429945
H -6.081112 2.408740 1.264635
H -6.122389 -2.244449 1.385392
H -2.849367 4.645450 -0.524055
H -2.931433 -4.627843 -0.283049
H -5.015423 4.599665 0.652446
H -5.095891 -4.482717 0.888316


%chk=000225566-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225566

0 1
N -5.247243 0.042570 0.734643
C 2.432572 0.004792 0.018650
C 3.812190 -0.046692 -0.675706
C 1.248698 -0.024061 -0.974082
C 4.997814 -0.014891 0.314779
C -0.128183 0.013294 -0.275768
C 6.376985 -0.076226 -0.379523
C -1.311530 -0.011976 -1.286753
C 7.563837 -0.042318 0.609654
C -2.667669 0.006868 -0.603303
C 8.942849 -0.109798 -0.084548
C -3.313520 1.242944 -0.282189
C -3.318156 -1.210646 -0.225550
C 10.129663 -0.075152 0.905285
C -4.612841 1.206028 0.387792
C -4.617380 -1.138084 0.441744
C -2.746470 2.535605 -0.579687
C -2.756118 -2.517812 -0.463114
C 11.503616 -0.146028 0.204292
C -5.278002 2.441974 0.709395
C -5.287423 -2.355336 0.819612
C -3.414937 3.711076 -0.249962
C -3.429051 -3.674253 -0.079649
C -4.696570 3.666278 0.399666
C -4.710607 -3.594806 0.566766
H 2.368353 0.922661 0.639561
H 2.343854 -0.850781 0.720304
H 3.900391 0.807063 -1.380067
H 3.876761 -0.966634 -1.294074
H 1.318884 -0.937916 -1.601117
H 1.332989 0.836720 -1.670572
H 4.937526 0.907922 0.929150
H 4.906733 -0.865018 1.023091
H -0.204762 0.923213 0.352336
H -0.219878 -0.848802 0.414678
H 6.437638 -1.000330 -0.992083
H 6.467761 0.772494 -1.089658
H -1.214598 -0.909703 -1.924070
H -1.213188 0.850529 -1.970905
H 7.471339 -0.888859 1.322222
H 7.505919 0.883607 1.219740
H 9.037207 0.736043 -0.797714
H 9.002689 -1.036352 -0.693544
H 10.070323 0.851443 1.512371
H 10.033394 -0.919423 1.618495
H -1.769795 2.597481 -1.070214
H -1.779779 -2.606004 -0.950234
H 11.600502 -1.077906 -0.384432
H 12.333706 -0.119959 0.934220
H 11.638247 0.704140 -0.491009
H -6.250399 2.366891 1.205651
H -6.259591 -2.253712 1.311569
H -2.963946 4.681435 -0.485729
H -2.981716 -4.656163 -0.270302
H -5.209630 4.601584 0.649239
H -5.227258 -4.515714 0.858851


