%chk=000183287.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183287

0 1
O -1.947765 -3.893193 -1.059798
N -2.953715 1.372481 0.299746
N 1.477111 0.064915 -0.763180
N 1.117729 2.317166 -0.078449
N 5.641289 -1.025270 -0.237162
C -0.775314 0.790915 -0.170338
C -1.650166 1.872102 0.204369
C -1.579056 -0.394932 -0.323553
C -2.942991 -0.015699 -0.030602
C 0.614740 1.056166 -0.317770
C -1.132695 3.171352 0.423385
C 2.949151 0.238570 -0.755978
C -1.290955 -1.711386 -0.668402
C 3.549452 0.015028 0.642395
C -3.987151 -0.936729 -0.084646
C -4.168215 2.133405 0.611604
C 0.251630 3.310560 0.263954
C 5.084001 0.086376 0.604913
C -2.361718 -2.621451 -0.712369
C -1.975829 4.341460 0.797523
C -3.691104 -2.257690 -0.429232
C 5.566021 -2.334014 0.478061
C 7.055911 -0.728790 -0.616321
C -2.951909 -4.928529 -1.166996
H 3.381978 -0.486402 -1.484432
H 3.202228 1.261312 -1.122248
H -0.284692 -2.042779 -0.907328
H 1.136598 -0.896468 -0.747005
H 3.218115 -0.957269 1.052971
H 3.165055 0.790478 1.336889
H -5.010649 -0.643600 0.134058
H -4.029945 2.726693 1.534349
H -4.427078 2.821793 -0.213712
H -5.024246 1.455990 0.773344
H 0.731916 4.285904 0.422932
H 5.479427 0.084064 1.643274
H 5.391974 1.056647 0.154747
H -1.375612 5.251320 0.938610
H -2.713802 4.568663 0.016125
H -2.511198 4.167259 1.740756
H -4.491134 -2.987950 -0.475803
H 6.160687 -2.393241 1.400946
H 4.514288 -2.545934 0.730749
H 5.902024 -3.131830 -0.203193
H 7.079139 0.194456 -1.217437
H 7.749593 -0.612292 0.228534
H 7.431212 -1.539595 -1.261157
H -2.347033 -5.797783 -1.456635
H -3.675369 -4.678503 -1.948197
H -3.434530 -5.092645 -0.199489


%chk=000183287-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183287

0 1
O -2.216776 -4.013625 -1.128792
N -2.970832 1.358435 0.247997
N 1.489852 -0.120734 -0.543800
N 1.170473 2.136318 0.028693
N 5.826441 -0.872506 -0.219520
C -0.792411 0.698354 -0.124997
C -1.635431 1.811463 0.224798
C -1.646441 -0.461643 -0.322434
C -2.992739 -0.013388 -0.080185
C 0.622760 0.904668 -0.209737
C -1.077639 3.102522 0.474255
C 2.946620 0.059162 -0.645666
C -1.432391 -1.813947 -0.674094
C 3.663886 0.054820 0.724815
C -4.096189 -0.878477 -0.179778
C -4.202015 2.092811 0.544623
C 0.329230 3.163494 0.347432
C 5.190791 0.210242 0.577382
C -2.541523 -2.686446 -0.773923
C -1.841657 4.358939 0.849663
C -3.865950 -2.229364 -0.529927
C 5.795774 -2.183365 0.459797
C 7.196316 -0.514154 -0.640229
C -3.317931 -4.966278 -1.255425
H 3.358981 -0.744266 -1.281469
H 3.142230 1.024988 -1.145435
H -0.447079 -2.240502 -0.884305
H 1.104204 -1.051046 -0.682640
H 3.411800 -0.870719 1.278289
H 3.277846 0.902424 1.320756
H -5.117212 -0.530304 0.005908
H -3.979913 3.140697 0.772707
H -4.891237 2.062699 -0.321199
H -4.719186 1.647987 1.416493
H 0.827173 4.126713 0.522837
H 5.653128 0.288025 1.596880
H 5.399016 1.166972 0.059118
H -1.132510 5.195461 0.981170
H -2.563841 4.669639 0.069429
H -2.395373 4.253771 1.803167
H -4.717061 -2.911266 -0.610850
H 6.356274 -2.186700 1.430827
H 4.755410 -2.485527 0.668470
H 6.244612 -2.950044 -0.197129
H 7.174520 0.426767 -1.218486
H 7.903400 -0.376210 0.218480
H 7.605833 -1.307188 -1.292093
H -2.843742 -5.919380 -1.533462
H -4.029931 -4.661050 -2.047824
H -3.862163 -5.088142 -0.297785


