%chk=000206451.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206451

0 1
N 0.940049 2.159614 0.142175
N -1.540311 0.651711 0.174679
N 4.485878 0.966587 -0.638991
N -7.730026 -1.339798 0.176797
C 0.707753 1.106376 1.186683
C 2.403509 2.412012 -0.107762
C 1.327361 -0.276979 0.848324
C -0.814275 0.982126 1.444824
C 0.218582 1.821629 -1.128714
C 2.691133 -0.104770 0.295395
C 3.172322 1.120523 -0.149827
C -1.292516 1.726666 -0.841307
C 3.727766 -1.082198 0.087640
C 2.944757 3.327880 0.999195
C -3.006912 0.477891 0.434520
C 4.845241 -0.384539 -0.493020
C -3.609995 -0.373230 -0.701017
C 3.835467 -2.464066 0.326844
C 6.044486 -1.046207 -0.826338
C 5.015696 -3.108996 -0.002465
C -5.041077 -0.710559 -0.400049
C 6.108446 -2.405040 -0.573099
C -5.367849 -1.878617 0.305874
C -6.079523 0.139267 -0.810997
C -6.717003 -2.155714 0.571513
C -7.403264 -0.210415 -0.504896
H 1.188292 1.487182 2.127209
H 2.499511 2.946111 -1.091123
H 0.683571 -0.811730 0.113716
H 1.341646 -0.916160 1.751143
H -0.993552 0.160730 2.171043
H -1.176243 1.923599 1.913738
H 0.577824 0.872144 -1.584819
H 0.399865 2.634233 -1.863573
H -1.675032 2.720293 -0.519583
H -1.825758 1.452766 -1.776607
H 3.015612 2.806152 1.961471
H 3.941391 3.703985 0.752817
H 2.279451 4.188979 1.147666
H -3.557513 1.438349 0.526050
H -3.143523 -0.058170 1.400043
H 5.070869 1.699299 -0.983479
H -3.523761 0.160187 -1.669342
H -2.999707 -1.293802 -0.831298
H 2.997400 -3.002769 0.762628
H 6.877226 -0.506604 -1.262638
H 5.121201 -4.177026 0.174048
H 7.014945 -2.958963 -0.813630
H -4.590310 -2.560000 0.641238
H -5.866422 1.053158 -1.358006
H -7.014184 -3.058304 1.118159
H -8.242894 0.425306 -0.809149


%chk=000206451-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206451

0 1
N 0.951863 2.123053 0.112468
N -1.538431 0.648632 0.174825
N 4.502607 0.964050 -0.608742
N -7.824418 -1.292609 0.251965
C 0.698362 1.105321 1.183585
C 2.405877 2.412601 -0.094577
C 1.328123 -0.294235 0.882088
C -0.821669 1.014333 1.424265
C 0.236937 1.778165 -1.144745
C 2.713781 -0.121361 0.312285
C 3.184866 1.111834 -0.137353
C -1.272791 1.664544 -0.874601
C 3.775581 -1.087577 0.102859
C 2.940052 3.389347 0.984044
C -2.978913 0.404533 0.407460
C 4.890580 -0.377003 -0.475541
C -3.648589 -0.381737 -0.754557
C 3.902767 -2.480484 0.346699
C 6.102030 -1.018114 -0.810882
C 5.111053 -3.125860 0.015085
C -5.095339 -0.709864 -0.435395
C 6.198931 -2.403123 -0.557675
C -5.459345 -1.931814 0.186119
C -6.140817 0.211998 -0.700185
C -6.813667 -2.178005 0.505262
C -7.468705 -0.115439 -0.345817
H 1.159420 1.498389 2.110640
H 2.483159 2.927133 -1.075867
H 0.669224 -0.851135 0.186680
H 1.359524 -0.879461 1.823362
H -1.024581 0.237865 2.185719
H -1.175076 1.997029 1.825325
H 0.599086 0.827171 -1.600657
H 0.409918 2.590709 -1.875582
H -1.662816 2.669104 -0.567848
H -1.781590 1.368743 -1.809542
H 2.876291 2.942200 1.991447
H 4.000681 3.642904 0.799081
H 2.343937 4.317839 0.971619
H -3.545168 1.356427 0.578982
H -3.076143 -0.194737 1.332811
H 5.078793 1.708550 -0.994895
H -3.599072 0.214924 -1.684282
H -3.061517 -1.303135 -0.920000
H 3.072706 -3.046829 0.784391
H 6.941724 -0.468492 -1.251729
H 5.221690 -4.200718 0.197754
H 7.125769 -2.932810 -0.805369
H -4.698890 -2.688041 0.412843
H -5.927050 1.171553 -1.185350
H -7.114990 -3.118986 0.980165
H -8.290153 0.582716 -0.544932


