%chk=000193204.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193204

0 1
S -2.285461 -1.609199 -0.482649
O -0.383840 1.253131 -1.207521
O -3.863508 2.809875 1.337626
O 5.622954 -0.872516 -0.823702
O -0.611169 -2.504086 1.332271
N -2.879022 1.666451 -0.365742
N 0.352358 0.162698 0.686680
C -2.010597 0.908190 0.556398
C -2.616234 -0.457396 0.878866
C -0.615198 0.786070 -0.107737
C 1.698655 -0.113150 0.263967
C -3.744426 2.651348 0.134322
C 2.386285 -1.152670 0.918380
C 2.328481 0.640500 -0.748279
C -4.496089 3.421636 -0.909648
C 3.710678 -1.432223 0.580590
C 3.645241 0.364185 -1.095662
C 4.322553 -0.667574 -0.421810
C -1.018013 -2.692660 0.218146
C -0.605260 -3.732437 -0.747857
H -1.915425 1.496972 1.522208
H -3.718448 -0.378679 1.007668
H -2.227381 -0.863418 1.837353
H -2.672490 1.570249 -1.362455
H 0.066341 -0.305448 1.555777
H 1.888465 -1.747709 1.687008
H 1.777538 1.434467 -1.265931
H -5.191533 4.128764 -0.426806
H -3.827447 4.015175 -1.549267
H -5.095908 2.773724 -1.562908
H 4.248988 -2.226870 1.087707
H 4.159273 0.928188 -1.872806
H 0.057247 -4.479981 -0.278594
H -1.457255 -4.279490 -1.184824
H -0.044922 -3.298389 -1.596930
H 6.059169 -1.594923 -0.311241


%chk=000193204-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193204

0 1
S -2.594220 -1.572170 -0.343048
O -0.170222 1.814366 -1.059459
O -4.413822 2.083345 1.201039
O 5.914270 -0.760397 -0.762754
O -0.546575 -2.509102 1.223374
N -2.699786 1.832218 -0.342599
N 0.454355 0.136441 0.460939
C -1.840031 1.080852 0.575859
C -2.465228 -0.263958 1.013676
C -0.434452 1.026993 -0.092552
C 1.826416 -0.069439 0.111221
C -3.923378 2.336855 0.052384
C 2.503082 -1.139851 0.752281
C 2.528918 0.745835 -0.818007
C -4.648171 3.200296 -0.972398
C 3.862049 -1.391705 0.480808
C 3.886888 0.490588 -1.086982
C 4.557469 -0.571925 -0.440610
C -1.290382 -2.746501 0.234768
C -1.205562 -4.007749 -0.596172
H -1.739405 1.663308 1.520950
H -3.493541 -0.060960 1.350683
H -1.902705 -0.731090 1.842124
H -2.223471 2.159188 -1.193270
H 0.080144 -0.552004 1.128952
H 1.962329 -1.783584 1.455318
H 2.005568 1.559523 -1.322150
H -5.625439 2.743284 -1.205488
H -4.849370 4.190977 -0.529447
H -4.082584 3.332952 -1.910100
H 4.371963 -2.222329 0.985443
H 4.440957 1.109375 -1.798817
H -1.345439 -4.884990 0.060873
H -1.955929 -4.032252 -1.401271
H -0.194458 -4.082768 -1.035972
H 6.294360 -1.520816 -0.256996


