%chk=000190467.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190467

0 1
S -6.285411 1.104376 0.910850
O -7.137018 1.570129 1.978922
O -6.081949 1.904117 -0.271286
N 0.051900 -0.807497 -0.760006
N 3.981833 0.293181 0.456409
N -2.106932 0.066435 -2.332019
N -4.773721 0.841850 1.708191
C 2.371981 -1.391265 -0.285372
C 1.330154 -0.413440 -0.294791
C 3.698391 -0.987802 0.086815
C 1.635676 0.929854 0.053557
C 4.780929 -1.964986 0.087727
C 2.989410 1.223579 0.442630
C 4.515657 -3.270738 -0.256527
C 2.157058 -2.772327 -0.622185
C -1.158420 -0.347295 -0.111614
C 3.178832 -3.672067 -0.609146
C 0.704098 2.026165 0.015740
C -2.232960 0.120785 -0.935626
C 6.161525 -1.530356 0.458036
C 3.346533 2.571099 0.836880
C -1.301952 -0.365854 1.280689
C 5.588896 -4.311630 -0.274948
C -3.557245 0.485130 1.078582
C -3.427979 0.538110 -0.317053
C 1.073974 3.288870 0.378793
C -2.483692 0.046315 1.886844
C 2.415811 3.563901 0.807555
C -3.002895 0.885679 -3.180720
C -6.751456 -0.500074 0.425637
H -0.022439 -1.810037 -0.997722
H 1.149436 -3.094635 -0.892614
H 3.006539 -4.716024 -0.865402
H -0.315276 1.838600 -0.322058
H 6.855673 -1.651967 -0.384237
H 6.203216 -0.467482 0.752183
H 6.550024 -2.108547 1.306599
H 4.377754 2.744714 1.146835
H -0.467281 -0.701713 1.901813
H 5.223792 -5.295580 -0.593550
H 6.403035 -4.030574 -0.959518
H 6.035444 -4.437959 0.722586
H -4.223666 0.961891 -0.934919
H 0.363273 4.112018 0.348557
H -2.571931 0.029665 2.968147
H 2.666805 4.582835 1.101117
H -1.146640 0.021795 -2.688574
H -4.715192 1.017418 2.721790
H -4.059673 0.616570 -3.000164
H -2.785375 0.677341 -4.241376
H -2.899102 1.970933 -3.007011
H -7.140436 -1.112341 1.254017
H -7.545788 -0.501868 -0.337664
H -5.929321 -1.086799 -0.016900


%chk=000190467-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190467

0 1
S -6.522978 0.857453 0.796644
O -7.515303 1.435316 1.945067
O -6.533855 1.471594 -0.709793
N 0.098900 -0.471511 -0.724962
N 4.129737 0.262156 0.564452
N -2.034956 0.174862 -2.370186
N -4.901309 0.965191 1.578330
C 2.367502 -1.274050 -0.265737
C 1.396584 -0.212219 -0.242414
C 3.743229 -0.975743 0.120009
C 1.803210 1.093425 0.196468
C 4.754434 -2.018234 0.053331
C 3.190866 1.258712 0.614991
C 4.395093 -3.314723 -0.354501
C 2.041487 -2.621835 -0.637027
C -1.138385 -0.066218 -0.119185
C 3.026585 -3.603745 -0.681341
C 0.947812 2.250001 0.190643
C -2.241440 0.225872 -0.990508
C 6.183370 -1.686856 0.431415
C 3.628745 2.551756 1.073750
C -1.311324 0.017770 1.276676
C 5.429626 -4.422943 -0.432989
C -3.655111 0.632271 0.979053
C -3.499385 0.573245 -0.428492
C 1.413411 3.490276 0.621722
C -2.558023 0.357609 1.839741
C 2.764236 3.641442 1.083572
C -3.073754 0.526041 -3.340042
C -6.749280 -1.032226 0.629536
H 0.020370 -1.299216 -1.325161
H 1.005249 -2.911113 -0.850793
H 2.757358 -4.630378 -0.956603
H -0.085841 2.156110 -0.151029
H 6.875427 -1.874438 -0.412676
H 6.253144 -0.629055 0.723628
H 6.531980 -2.314742 1.274556
H 4.671120 2.633448 1.397003
H -0.461520 -0.205985 1.930029
H 4.976429 -5.373460 -0.761991
H 6.241353 -4.169777 -1.141765
H 5.912622 -4.597283 0.547634
H -4.325375 0.879286 -1.076093
H 0.745156 4.358225 0.606600
H -2.686013 0.384384 2.926545
H 3.112621 4.620436 1.431134
H -1.059388 0.232493 -2.670732
H -4.953111 1.494012 2.454522
H -3.953477 -0.135029 -3.230791
H -2.675932 0.393423 -4.359543
H -3.424345 1.574521 -3.235652
H -6.763683 -1.423380 1.654983
H -7.706506 -1.167484 0.107189
H -5.893465 -1.397188 0.045282


