%chk=000271041.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271041

0 1
S -6.014966 -0.748509 1.069792
O -6.749858 -0.093884 2.134507
O -6.462437 -2.019018 0.571062
N -6.203907 0.457684 -0.194599
N -0.278041 -0.898170 2.577539
N -5.971882 1.336470 -2.390653
N -4.682862 -0.622182 -1.657906
N 0.656402 -0.716105 1.756036
N 3.860741 -1.229929 3.752028
N 5.336815 -0.370564 0.455225
N 1.709613 -1.451121 4.568363
N 6.074990 -1.046793 3.075395
N 5.006485 0.003948 -0.697959
C -4.346327 -0.770224 1.445859
C -3.496577 -1.698581 0.831806
C -3.834600 0.138868 2.384868
C -1.635076 -0.813698 2.092740
C -2.137076 -1.724840 1.149377
C -2.483141 0.125760 2.714672
C -5.611560 0.385415 -1.447439
C 1.992851 -0.818927 2.183077
C -5.374031 1.257488 -3.609369
C 2.932219 -0.545108 1.165493
C 4.304302 -0.609433 1.403160
C 2.505781 -1.164605 3.494838
C 4.749058 -0.961771 2.741810
C -4.426053 0.249627 -3.897895
C -4.112327 -0.666807 -2.890052
C -5.762431 2.275480 -4.625361
C 6.069880 0.218570 -1.653107
C 7.214542 -0.592121 -1.744769
C 5.852264 1.258234 -2.577355
C 8.139585 -0.358018 -2.764951
C 6.790859 1.482489 -3.585109
C 7.932036 0.677249 -3.681765
H -3.897636 -2.406775 0.093250
H -4.504495 0.859548 2.870120
H -6.888368 1.224930 -0.065500
H -1.471372 -2.439033 0.666463
H -2.080597 0.828836 3.442474
H 2.567721 -0.277251 0.161473
H -3.959017 0.191155 -4.873911
H -3.382227 -1.470870 -3.049775
H -6.497928 2.997711 -4.230160
H -4.891024 2.852606 -4.967718
H -6.217191 1.802399 -5.508669
H 0.697858 -1.432008 4.504857
H 2.123005 -1.688725 5.459413
H 6.794021 -0.853172 2.393547
H 6.355174 -1.284932 4.014852
H 7.372849 -1.398075 -1.029910
H 4.957636 1.876572 -2.500890
H 9.026410 -0.985550 -2.844549
H 6.632006 2.287485 -4.301934
H 8.657402 0.856674 -4.473493


%chk=000271041-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271041

0 1
S -5.684738 -1.813658 0.255815
O -6.622396 -2.106746 1.552865
O -5.619959 -2.851662 -0.983149
N -6.373813 -0.174771 -0.277059
N -0.098125 -0.707120 2.372441
N -6.987207 1.376442 -1.905745
N -4.881413 0.129978 -2.086496
N 0.911538 -0.752714 1.509098
N 3.834670 0.006067 3.807369
N 5.727480 -0.356458 0.645450
N 1.562761 -0.158703 4.341025
N 6.106786 0.172743 3.286669
N 5.508182 -0.632221 -0.621077
C -3.946138 -1.425951 0.850950
C -2.884170 -1.492425 -0.069181
C -3.789678 -1.145926 2.218546
C -1.377069 -0.959948 1.792082
C -1.584918 -1.257019 0.412628
C -2.482241 -0.909321 2.685909
C -6.064656 0.453347 -1.477040
C 2.190925 -0.515507 2.010237
C -6.690914 2.059423 -3.051930
C 3.251748 -0.567337 1.071549
C 4.580798 -0.340252 1.467741
C 2.548125 -0.217078 3.406303
C 4.824566 -0.051127 2.876615
C -5.491435 1.787165 -3.766897
C -4.623552 0.808251 -3.241605
C -7.690850 3.088622 -3.523322
C 6.670967 -0.637443 -1.452044
C 7.997346 -0.337234 -1.024983
C 6.429166 -0.971901 -2.812532
C 9.054364 -0.376046 -1.952715
C 7.494228 -1.010128 -3.735720
C 8.810174 -0.712312 -3.309543
H -3.085529 -1.710063 -1.121229
H -4.655953 -1.136413 2.887021
H -7.302357 -0.006518 0.130390
H -0.718678 -1.295007 -0.252684
H -2.298842 -0.687845 3.741961
H 3.028222 -0.786653 0.023530
H -5.251610 2.314985 -4.693226
H -3.686405 0.551110 -3.747110
H -8.531519 3.145888 -2.815566
H -7.222356 4.086640 -3.606304
H -8.083910 2.827475 -4.523351
H 0.596599 -0.336132 3.981066
H 1.814214 0.047637 5.308192
H 6.843780 0.126907 2.581362
H 6.294655 0.374254 4.266304
H 8.172561 -0.077847 0.023374
H 5.400594 -1.196920 -3.113209
H 10.074661 -0.144126 -1.626571
H 7.301220 -1.270021 -4.782069
H 9.639601 -0.739982 -4.024835


