%chk=000194073.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194073

0 1
S 1.617416 0.625335 1.106058
O 1.751268 1.978166 1.594417
O 2.323511 -0.397421 1.824490
N 2.488074 0.766684 -0.467661
N 2.340724 -0.145957 -1.485964
N 3.791056 1.354246 -2.181235
N 3.103628 0.214860 -2.471851
C 0.044820 0.222435 0.627578
C -0.825073 1.231004 0.127856
C -0.432098 -1.113501 0.694070
C -0.401347 2.673841 -0.128633
C 0.418932 -2.318243 1.077060
C -2.631450 -0.395382 -0.089659
C -2.143993 0.911882 -0.208473
C -1.761672 -1.394917 0.351385
C -4.072424 -0.701497 -0.456163
C -0.221202 2.864905 -1.640076
C -1.422408 3.664522 0.446512
C 0.718335 -3.122220 -0.194402
C -0.280155 -3.174753 2.140860
C -4.822748 -1.257548 0.759032
C -4.120245 -1.670007 -1.642956
C 3.429018 1.724148 -0.927047
H 0.574506 2.931534 0.368731
H 1.411404 -2.025442 1.524144
H -2.803736 1.696474 -0.583293
H -2.123073 -2.423188 0.416543
H -4.580453 0.249351 -0.767712
H -1.163011 2.742179 -2.187641
H 0.154592 3.870630 -1.864479
H 0.492747 2.147434 -2.062453
H -1.588756 3.485754 1.515806
H -1.059299 4.694797 0.342849
H -2.393103 3.611279 -0.058493
H -0.186903 -3.525975 -0.658801
H 1.380750 -3.967452 0.027555
H 1.228330 -2.504563 -0.948516
H -0.552071 -2.577815 3.018826
H 0.387319 -3.974951 2.485663
H -1.190170 -3.654274 1.764352
H -4.415432 -2.219779 1.089921
H -5.882419 -1.416643 0.527390
H -4.770493 -0.569469 1.611014
H -3.562399 -1.278120 -2.502203
H -5.152300 -1.841809 -1.969855
H -3.691049 -2.647623 -1.395046
H 3.765354 2.577989 -0.352996


%chk=000194073-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194073

0 1
S 1.623243 0.825495 1.159472
O 1.875187 2.414729 1.337268
O 2.078269 -0.114754 2.387635
N 2.826356 0.446044 -0.381295
N 2.738566 -0.736736 -1.128301
N 4.405676 0.601903 -1.935108
N 3.698675 -0.635963 -2.070721
C -0.092834 0.321511 0.443328
C -0.935130 1.345760 -0.073988
C -0.421006 -1.063096 0.511884
C -0.586868 2.832926 -0.251990
C 0.501573 -2.218440 0.935548
C -2.669977 -0.421140 -0.328161
C -2.238921 0.917812 -0.435800
C -1.745206 -1.386672 0.126962
C -4.098085 -0.809305 -0.713284
C -1.098133 3.401312 -1.600613
C -1.141271 3.655978 0.944718
C 0.530336 -3.338332 -0.137446
C 0.081242 -2.765552 2.326051
C -4.888463 -1.328633 0.518432
C -4.121242 -1.847505 -1.866523
C 3.836240 1.235382 -0.881491
H 0.507773 2.954628 -0.242114
H 1.536066 -1.856389 1.028254
H -2.936396 1.668113 -0.823030
H -2.043203 -2.438897 0.176022
H -4.606929 0.106082 -1.076065
H -2.199863 3.481338 -1.635830
H -0.694467 4.420651 -1.738704
H -0.768249 2.783828 -2.455211
H -0.701757 3.319285 1.899237
H -0.889524 4.724057 0.814952
H -2.241537 3.565569 1.012221
H -0.449526 -3.834948 -0.261481
H 1.256926 -4.112265 0.169653
H 0.854501 -2.936812 -1.112356
H 0.152449 -1.980379 3.098317
H 0.751655 -3.593682 2.619080
H -0.954579 -3.153650 2.312151
H -4.437082 -2.254422 0.921014
H -5.931903 -1.558136 0.235105
H -4.906843 -0.579860 1.330428
H -3.578287 -1.476459 -2.754035
H -5.163280 -2.064579 -2.164062
H -3.655368 -2.801620 -1.558059
H 4.113496 2.206723 -0.485557


