%chk=000208251.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208251

0 1
O -3.534986 0.252193 0.008131
O -3.052644 -4.342148 0.031063
N -0.591959 0.385414 -0.964722
N -1.210711 -3.129665 -0.624963
N 0.610994 -1.541335 -1.295305
N -3.291903 -2.038175 0.034634
N -0.556739 3.845611 0.438755
N 3.566384 2.684978 0.890782
C -1.434594 -0.694083 -0.634436
C -0.974209 1.803417 -0.844504
C 0.628822 -0.161873 -1.348264
C -0.662915 -1.869326 -0.851557
C -0.625383 2.353369 0.557726
C 1.816568 0.629420 -1.777130
C -2.805236 -0.701346 -0.184314
C -2.560408 -3.247476 -0.167997
C 2.677083 0.988131 -0.598505
C -0.401749 -4.350384 -0.857727
C -4.687653 -2.203302 0.527777
C 0.285156 4.423376 1.528362
C -1.924708 4.445855 0.474387
C 3.382451 -0.005447 0.098151
C 2.796221 2.323985 -0.167623
C 4.181237 0.358080 1.182958
C 4.249060 1.713442 1.549276
H -0.459011 2.398625 -1.634484
H -2.076096 1.894343 -1.025407
H -1.369264 1.992063 1.300541
H 0.362213 1.961622 0.888240
H 1.505788 1.535986 -2.343158
H 2.412831 0.023620 -2.506343
H -1.015331 -5.254040 -0.676968
H 0.468639 -4.367012 -0.178293
H -0.031735 -4.369846 -1.898510
H -5.264270 -1.278182 0.339836
H -4.690064 -2.407444 1.611857
H -5.181604 -3.047155 0.013531
H -0.081280 4.235229 2.547597
H 0.355779 5.513890 1.383782
H 1.313397 4.028537 1.451028
H -2.475887 4.285381 1.413148
H -2.529973 4.035473 -0.348982
H -1.840678 5.531578 0.305117
H 3.294472 -1.052020 -0.205533
H 2.258394 3.140430 -0.669704
H 4.740012 -0.392339 1.737938
H 4.862792 2.045752 2.394511


%chk=000208251-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208251

0 1
O -3.386138 0.497735 -0.003948
O -3.258047 -4.216721 0.004860
N -0.428906 0.343182 -1.017915
N -1.311929 -3.094072 -0.674441
N 0.596262 -1.673148 -1.359497
N -3.285658 -1.872212 -0.002205
N -0.807428 3.729246 0.653667
N 3.907512 2.833537 0.393139
C -1.355399 -0.654641 -0.667688
C -0.654496 1.799045 -0.880426
C 0.727920 -0.312580 -1.423658
C -0.693885 -1.872470 -0.894266
C -0.458502 2.297683 0.576582
C 1.991113 0.375575 -1.862650
C -2.718258 -0.565260 -0.212736
C -2.648964 -3.130635 -0.212158
C 2.825379 0.915856 -0.700597
C -0.590676 -4.356083 -0.927243
C -4.685990 -1.946718 0.475145
C 0.053223 4.520192 1.555246
C -2.248038 3.967301 0.888400
C 3.277078 0.063284 0.338901
C 3.175418 2.286624 -0.622590
C 4.043489 0.606571 1.391819
C 4.330976 1.992325 1.381912
H 0.040804 2.335759 -1.545829
H -1.685815 2.014497 -1.201471
H -1.078295 1.668894 1.257647
H 0.598717 2.163696 0.866856
H 1.762778 1.196679 -2.567635
H 2.572632 -0.379280 -2.420978
H -1.281173 -5.182959 -0.706946
H 0.299418 -4.421435 -0.279015
H -0.263825 -4.399613 -1.979566
H -5.038965 -0.914904 0.616219
H -4.731425 -2.507547 1.422688
H -5.312015 -2.470544 -0.265733
H -0.081825 4.266866 2.636956
H -0.176846 5.594203 1.431300
H 1.115737 4.369401 1.294448
H -2.556530 3.739936 1.939123
H -2.856161 3.330899 0.223614
H -2.490540 5.024816 0.678744
H 3.024043 -1.003166 0.318066
H 2.853694 2.987639 -1.404184
H 4.410604 -0.024213 2.207603
H 4.916238 2.453966 2.185141


