%chk=000192620.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192620

0 1
S 1.962310 -0.475158 1.587377
O -0.874832 0.440047 -0.895091
O -0.359508 1.256070 1.145825
N -4.486257 0.627531 -0.032995
C 1.298774 -0.087578 -0.078652
C 1.105135 -1.458713 -0.686718
C 2.252052 0.808496 -0.831081
C -3.098425 0.074899 0.024938
C -0.037737 0.611313 0.176658
C -2.219623 1.011279 -0.815657
C -4.737315 1.588338 1.092105
C -5.518459 -0.444278 -0.132021
C 1.704408 -1.808093 -1.905422
C 3.637886 0.597057 -0.733576
C 0.309619 -2.402291 -0.011810
C 1.771948 1.840527 -1.652288
C 2.282039 1.146973 2.370724
C -5.929222 2.486094 0.757722
C -5.605847 -1.412239 1.050903
C 1.522047 -3.088903 -2.435584
C 4.525230 1.427654 -1.421547
C 0.134643 -3.680713 -0.545818
C 2.664655 2.669689 -2.337338
C 0.741229 -4.028438 -1.757299
C 4.042624 2.469751 -2.219903
C 2.977542 0.838303 3.677534
H -3.056427 -0.949239 -0.405706
H -2.688979 -0.008432 1.055486
H -2.159675 2.031829 -0.403372
H -2.512828 1.033643 -1.880561
H -4.905504 1.075769 2.064217
H -3.828682 2.219189 1.221489
H -6.501076 0.058759 -0.279579
H -5.318479 -1.009396 -1.070274
H 2.311470 -1.085184 -2.451637
H 4.031708 -0.221829 -0.126508
H -0.176856 -2.146146 0.930491
H 0.698412 1.996032 -1.776995
H 2.902300 1.776579 1.707164
H 1.316057 1.674338 2.526407
H -6.002021 3.318215 1.465666
H -6.877095 1.937751 0.786847
H -5.831952 2.910346 -0.250672
H -6.395046 -2.155096 0.891835
H -5.834885 -0.888989 1.986466
H -4.669496 -1.959037 1.204157
H 1.991135 -3.351871 -3.382387
H 5.598047 1.260058 -1.335859
H -0.476554 -4.408879 -0.015175
H 2.281323 3.471707 -2.966688
H 0.603536 -5.025580 -2.170413
H 4.737005 3.118245 -2.750753
H 3.200222 1.765193 4.225378
H 3.932076 0.313731 3.532542
H 2.359746 0.217875 4.342650


%chk=000192620-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000192620

0 1
S 1.257564 -0.726568 1.358287
O -1.174731 -0.418960 -1.087697
O -0.462590 1.628926 -0.251809
N -4.505307 0.444973 0.484535
C 1.187374 -0.212460 -0.543144
C 1.280686 -1.510491 -1.369090
C 2.347064 0.743870 -0.852168
C -3.166716 -0.179497 0.393746
C -0.203764 0.451033 -0.615300
C -2.586899 0.067695 -1.014353
C -4.452251 1.881136 0.864172
C -5.521444 -0.370457 1.193904
C 1.870471 -1.475282 -2.658872
C 3.664231 0.339934 -0.504594
C 0.749611 -2.739558 -0.901497
C 2.174288 1.968973 -1.542763
C 1.464328 0.969489 2.191633
C -5.729836 2.654956 0.489295
C -5.313338 -0.546754 2.723625
C 1.930837 -2.638893 -3.457534
C 4.777549 1.139246 -0.832468
C 0.820261 -3.904799 -1.693425
C 3.292406 2.770766 -1.874353
C 1.409766 -3.860904 -2.977944
C 4.596829 2.363360 -1.520905
C 1.285294 0.789680 3.707031
H -3.254554 -1.268484 0.558900
H -2.452858 0.209652 1.155150
H -2.611286 1.140870 -1.269350
H -3.118610 -0.520205 -1.776565
H -4.240368 2.015750 1.954132
H -3.593283 2.330582 0.332084
H -6.515040 0.078564 1.009644
H -5.540369 -1.367013 0.712446
H 2.289320 -0.538712 -3.040469
H 3.802462 -0.606024 0.031093
H 0.272941 -2.785867 0.083003
H 1.172362 2.311699 -1.812376
H 2.468612 1.346399 1.938543
H 0.704499 1.640998 1.759228
H -5.597338 3.732376 0.699066
H -6.609281 2.311173 1.063512
H -5.950069 2.529255 -0.585541
H -6.103367 -1.197159 3.143348
H -5.356948 0.420879 3.255779
H -4.336158 -1.014902 2.944197
H 2.389442 -2.589072 -4.451624
H 5.784341 0.808958 -0.552785
H 0.410689 -4.846101 -1.309710
H 3.137825 3.716219 -2.406475
H 1.463530 -4.765738 -3.593832
H 5.460475 2.987980 -1.775411
H 1.425569 1.763421 4.212170
H 2.024076 0.082805 4.126213
H 0.274100 0.419479 3.952521


