%chk=000212787.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212787

0 1
N -0.668384 -1.541715 -0.393643
N 2.116477 -0.801030 -0.209398
N 4.175841 -1.475716 0.852491
N 3.662019 1.934270 -0.650419
N 6.156101 -0.049449 1.001974
N 5.839273 2.229847 0.010174
C -0.236081 -0.109952 -0.504630
C 0.407232 -2.438447 -0.932519
C 1.040013 0.091729 0.335898
C 1.700787 -2.241385 -0.119443
C -1.960794 -1.768841 -1.123191
C 3.431788 -0.513011 0.249060
C 4.048551 0.743796 -0.020422
C -3.079269 -1.105720 -0.367937
C 5.432145 0.940238 0.382485
C -4.103749 -0.494632 -0.973936
C 5.493746 -1.206213 1.186609
C 4.777943 2.791384 -0.607120
C -5.226671 0.124550 -0.251375
C -5.022712 0.832775 0.944719
C -6.527391 0.015088 -0.775640
C -6.105142 1.417571 1.607436
C -7.604733 0.598230 -0.105997
C -7.396907 1.301096 1.085887
H -1.048328 0.532320 -0.097405
H -0.057607 0.210599 -1.553840
H 0.611330 -2.272319 -2.012813
H 0.071454 -3.492630 -0.816888
H 1.357158 1.151486 0.296793
H 0.825753 -0.145242 1.405163
H 1.552256 -2.563386 0.936168
H 2.512674 -2.877499 -0.539305
H -2.160468 -2.868370 -1.141737
H -1.927035 -1.439527 -2.185142
H -3.002310 -1.184669 0.720105
H 2.782070 2.080587 -1.109059
H -4.172743 -0.433427 -2.062671
H 6.036316 -2.037814 1.668035
H 4.763164 3.792462 -1.024379
H -4.019567 0.930190 1.354692
H -6.696065 -0.531733 -1.701198
H -5.940533 1.965255 2.534090
H -8.610412 0.505702 -0.513249
H -8.238288 1.755551 1.604578


%chk=000212787-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212787

0 1
N -0.608049 -1.665253 -0.038127
N 2.134694 -0.856743 0.273980
N 4.402863 -1.490741 0.188856
N 3.399065 2.096511 -0.432488
N 6.297560 0.017171 -0.191736
N 5.662075 2.370744 -0.604734
C -0.215637 -0.249538 -0.221593
C 0.501895 -2.577335 -0.413708
C 1.032487 0.056055 0.629383
C 1.758290 -2.281031 0.425170
C -1.888350 -2.004014 -0.713748
C 3.464244 -0.490917 0.105873
C 3.952511 0.826979 -0.178768
C -3.065027 -1.290124 -0.088041
C 5.372794 1.022889 -0.306216
C -3.985372 -0.570413 -0.790841
C 5.730503 -1.194891 0.033534
C 4.465195 2.967610 -0.675921
C -5.177725 0.122632 -0.259954
C -5.549901 0.093240 1.115438
C -5.998963 0.859822 -1.159463
C -6.693694 0.779751 1.568546
C -7.145699 1.547045 -0.707289
C -7.498684 1.511377 0.660932
H -1.053237 0.394931 0.100726
H 0.006085 -0.016631 -1.295921
H 0.762216 -2.488351 -1.498970
H 0.182407 -3.618991 -0.224609
H 1.329781 1.107958 0.509262
H 0.771623 -0.090069 1.699090
H 1.548068 -2.498101 1.492918
H 2.614150 -2.895746 0.109287
H -2.024477 -3.099813 -0.602659
H -1.856821 -1.791864 -1.813151
H -3.142013 -1.401307 1.002573
H 2.414384 2.347291 -0.483255
H -3.841070 -0.484613 -1.879583
H 6.412962 -2.046911 0.110699
H 4.308760 4.021102 -0.900169
H -4.945286 -0.472563 1.832946
H -5.730850 0.890854 -2.223213
H -6.963986 0.744547 2.630062
H -7.762345 2.107314 -1.418930
H -8.388525 2.042136 1.016813


