%chk=000192517.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192517

0 1
O 0.400492 -1.928992 -1.561344
O 1.517224 -4.407407 0.475650
O 3.203658 -3.235057 -0.420295
O -3.770498 -1.767207 -1.214067
N -0.571150 -0.626640 0.038789
N -2.868837 0.087692 -0.219601
N 0.610966 2.521524 0.103294
N 3.544823 2.800743 -0.787167
N -0.720154 3.734799 1.485510
N -4.766602 -0.369366 1.857839
C 2.221354 -0.961969 1.229859
C 1.309725 -2.079474 0.691176
C 2.956186 -0.211051 0.113153
C -1.566339 -0.034746 -0.905333
C 3.928502 0.832048 0.674436
C -1.087440 1.359880 -1.383742
C 0.361659 -1.565342 -0.402314
C 4.512221 1.711948 -0.445423
C -0.716441 2.274966 -0.281082
C 2.143096 -3.225465 0.150549
C -3.867475 -0.879059 -0.388129
C -1.518632 3.034666 0.583855
C -5.133748 -0.689893 0.453568
C 0.562012 3.422172 1.181536
H 0.684590 -2.486255 1.536390
H 2.958281 -1.403549 1.933206
H 1.620020 -0.254418 1.834530
H 2.230872 0.279058 -0.567155
H 3.507898 -0.940353 -0.523583
H -1.672844 -0.735085 -1.794542
H 3.423771 1.464612 1.430486
H 4.756466 0.324878 1.208114
H -1.892639 1.824216 -1.999295
H -0.238012 1.211624 -2.087992
H -0.554377 -0.257008 0.986064
H -2.939352 0.758198 0.552539
H 5.502157 2.106637 -0.129912
H 4.700675 1.093579 -1.351800
H 1.453192 2.155372 -0.343188
H -2.589430 3.126444 0.599717
H 3.674914 3.596962 -0.168163
H 3.708280 3.136137 -1.733146
H -5.758290 -1.606121 0.336899
H -5.725501 0.147164 0.014529
H 1.439269 3.798373 1.681583
H 1.980439 -5.206291 0.103753
H -5.559695 0.037751 2.345873
H -4.507485 -1.216498 2.357479


%chk=000192517-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000192517

0 1
O 0.800031 -1.571473 -1.765231
O 1.485412 -4.457229 -0.572834
O 3.539894 -3.384534 -0.469331
O -3.800769 -1.975627 -0.865176
N -0.482674 -0.934025 0.058742
N -2.722249 -0.076682 -0.000054
N 0.562952 2.670961 0.183134
N 3.109220 2.371850 -1.060268
N -0.893735 3.746683 1.557486
N -4.816157 0.719113 1.475798
C 2.427866 -1.271478 1.212250
C 1.514304 -2.311295 0.497984
C 3.169249 -0.323253 0.242837
C -1.489780 -0.202800 -0.759114
C 3.697396 0.952546 0.931604
C -0.964550 1.183355 -1.245790
C 0.575041 -1.600727 -0.515740
C 4.191421 2.007380 -0.082529
C -0.714722 2.200658 -0.159634
C 2.315084 -3.389578 -0.225095
C -3.786646 -0.946399 -0.127300
C -1.594344 2.884757 0.700510
C -5.008061 -0.543739 0.734227
C 0.403613 3.591566 1.209470
H 0.889813 -2.833307 1.249594
H 3.154442 -1.812083 1.847794
H 1.791173 -0.667251 1.889276
H 2.461159 -0.026903 -0.552619
H 3.989752 -0.872665 -0.253678
H -1.689046 -0.831940 -1.646970
H 2.889046 1.401898 1.542522
H 4.528106 0.706682 1.622666
H -1.715463 1.568604 -1.961515
H -0.042114 0.989078 -1.821306
H -0.651726 -0.986774 1.065018
H -2.901156 0.724432 0.627506
H 4.478420 2.930019 0.454728
H 5.099471 1.633181 -0.602557
H 1.494199 2.465229 -0.293141
H -2.682321 2.836639 0.737045
H 3.290043 3.283030 -1.503724
H 3.011055 1.658397 -1.796827
H -5.213231 -1.392990 1.413212
H -5.872317 -0.490762 0.045974
H 1.236542 4.124425 1.663246
H 2.001758 -5.124734 -1.100427
H -5.407368 1.497554 1.178314
H -4.770232 0.634406 2.493022


