%chk=000229953.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229953

0 1
O -4.028491 -3.567214 0.242591
N -5.693278 -1.968540 0.155073
N 7.603762 -0.583499 -0.209088
C -2.795011 0.366075 -0.032864
C -3.491408 1.617014 -0.109927
C -2.491553 2.689099 -0.195298
C -1.185564 2.087756 -0.169899
C -1.327355 0.615615 -0.063683
C -3.485802 -0.828578 0.055085
C -4.875986 1.652240 -0.097157
C -2.642157 4.062045 -0.289847
C -0.058526 2.889107 -0.244634
C -4.899450 -0.779707 0.066835
C -0.395027 -0.353433 -0.000943
C -5.587643 0.445712 -0.008028
C -1.484753 4.861501 -0.362597
C -0.217224 4.285167 -0.341010
C 1.046817 -0.152359 -0.017973
C 1.917091 -1.178757 -0.019700
C 3.374184 -1.023139 -0.028008
C 6.198268 -0.777348 -0.065863
C -5.211397 -3.295853 0.237728
C 4.008662 0.075754 0.576139
C 4.174390 -2.002423 -0.646311
C 5.394846 0.199959 0.566623
C 5.559550 -1.887631 -0.669755
C -6.303735 -4.327183 0.318264
C 8.253693 0.318315 0.782137
C 8.420600 -1.805364 -0.450366
H -2.960912 -1.787241 0.113904
H -5.412509 2.597414 -0.155206
H -3.627600 4.519095 -0.308849
H 0.941282 2.448764 -0.231549
H -0.725181 -1.399342 0.072114
H -6.673563 0.475374 0.001741
H -1.589391 5.942410 -0.437602
H 0.667737 4.916220 -0.400492
H 1.396073 0.887304 -0.036498
H -6.704542 -1.820087 0.156126
H 1.564025 -2.215033 -0.025579
H 3.408725 0.839387 1.072496
H 3.702210 -2.863370 -1.120797
H 5.850507 1.065771 1.041267
H 6.146405 -2.654556 -1.170283
H 8.213853 -0.056219 1.816831
H 7.770800 1.311157 0.748780
H 9.309724 0.468778 0.504353
H 9.463562 -1.514149 -0.656525
H 8.050380 -2.324643 -1.352288
H 8.414963 -2.516554 0.390185
H -5.857548 -5.334904 0.381592
H -6.953313 -4.324158 -0.566784
H -6.935587 -4.204752 1.207639


%chk=000229953-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229953

0 1
O -3.809052 -3.685438 -0.008852
N -5.542393 -2.097678 -0.018341
N 7.698836 -1.005385 0.024294
C -2.808128 0.484843 -0.010485
C -3.596850 1.680802 -0.016408
C -2.681782 2.830779 -0.014456
C -1.327569 2.334145 -0.007506
C -1.369200 0.849708 -0.004996
C -3.413882 -0.788025 -0.010881
C -5.003793 1.600388 -0.022823
C -2.952064 4.213683 -0.017720
C -0.258512 3.260710 -0.003379
C -4.831751 -0.859403 -0.017361
C -0.354348 -0.098251 0.000604
C -5.617634 0.331667 -0.023280
C -1.870390 5.125269 -0.013954
C -0.535179 4.649025 -0.006704
C 1.072170 0.087916 0.003456
C 1.950769 -0.983472 0.010420
C 3.406385 -0.944635 0.013155
C 6.303382 -0.988703 0.020296
C -5.043795 -3.401245 -0.014561
C 4.173551 0.261363 0.007369
C 4.141046 -2.169085 0.021889
C 5.573407 0.247995 0.010608
C 5.542123 -2.203053 0.025424
C -6.134619 -4.475741 -0.018031
C 8.453866 0.255098 0.022329
C 8.419735 -2.285504 0.030875
H -2.839548 -1.715914 -0.006475
H -5.622633 2.504144 -0.027533
H -3.984018 4.582914 -0.022955
H 0.784173 2.933351 0.002973
H -0.678693 -1.150336 0.002678
H -6.713121 0.256354 -0.028335
H -2.062924 6.204112 -0.016429
H 0.294749 5.364740 -0.003441
H 1.472327 1.106223 -0.000880
H -6.561578 -2.009363 -0.022668
H 1.505714 -1.991086 0.014454
H 3.662078 1.230565 -0.000233
H 3.587428 -3.116739 0.026216
H 6.109693 1.201084 0.004666
H 6.047949 -3.172361 0.032198
H 8.223924 0.873333 0.913506
H 8.239118 0.862311 -0.880250
H 9.532807 0.035406 0.032966
H 9.504305 -2.095308 0.029167
H 8.179491 -2.896656 -0.862571
H 8.180403 -2.887503 0.930880
H -5.650750 -5.462792 -0.012337
H -6.773271 -4.399127 -0.917803
H -6.784350 -4.394130 0.873328


