%chk=000240496.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240496

0 1
S -1.815151 0.963308 1.275117
O -0.760379 1.226273 -0.121942
O 0.291612 -1.206940 -0.445176
O 0.907479 3.304570 0.412524
O -1.110492 0.089622 2.172249
O -2.262451 2.254131 1.705179
N 2.725649 2.005291 -0.085319
N 0.559380 0.994920 0.214562
C 2.527377 -0.453027 0.198089
C 3.305401 0.696846 -0.487455
C 3.081864 -1.807415 -0.267431
C 4.795794 0.621269 -0.111111
C 4.577680 -1.907397 0.055737
C 5.370349 -0.736118 -0.541346
C 1.039718 -0.327481 -0.094863
C 1.365955 2.211723 0.179343
C -3.057671 0.150269 0.412593
C -2.810083 -1.101515 -0.161443
C -4.318361 0.748682 0.284586
C -3.830383 -1.763092 -0.852941
C -5.335848 0.087376 -0.405243
C -5.090486 -1.169816 -0.972729
H 2.652866 -0.378345 1.314348
H 3.196774 0.603191 -1.603837
H 2.908167 -1.941878 -1.353410
H 2.522083 -2.629446 0.223824
H 4.929163 0.761761 0.979948
H 5.360661 1.440132 -0.596362
H 4.977623 -2.865652 -0.329147
H 4.724241 -1.939638 1.153530
H 6.430984 -0.804288 -0.230388
H 5.374324 -0.810145 -1.646776
H 3.353160 2.798297 0.047427
H -1.814696 -1.564482 -0.081599
H -4.506081 1.735921 0.724066
H -3.637721 -2.737763 -1.299701
H -6.317087 0.549264 -0.504270
H -5.886215 -1.685710 -1.512235


%chk=000240496-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240496

0 1
S -1.706462 1.259996 0.896824
O -0.589123 1.549553 -0.952106
O 0.312682 -1.047544 -1.072482
O 1.000039 3.442573 0.180729
O -0.550949 0.382850 1.659994
O -2.368023 2.546358 1.640830
N 2.848389 2.017976 0.008806
N 0.691950 1.231235 -0.639735
C 2.470650 -0.414035 -0.059068
C 3.442253 0.735484 -0.417388
C 3.050746 -1.778593 -0.491666
C 4.810648 0.521373 0.261834
C 4.433241 -2.006406 0.162378
C 5.411399 -0.845837 -0.144365
C 1.082426 -0.160213 -0.637321
C 1.516442 2.341767 -0.104977
C -3.123742 0.165847 0.285704
C -2.815541 -0.980830 -0.462186
C -4.424828 0.580205 0.619334
C -3.904410 -1.781621 -0.881314
C -5.492956 -0.239209 0.187701
C -5.232102 -1.414128 -0.556736
H 2.340507 -0.406921 1.045716
H 3.590991 0.738490 -1.520337
H 3.143459 -1.805002 -1.595716
H 2.343933 -2.580400 -0.216834
H 4.673238 0.561899 1.361050
H 5.501108 1.341928 -0.017767
H 4.860471 -2.962779 -0.192717
H 4.308298 -2.099588 1.260567
H 6.369244 -1.001705 0.385793
H 5.643713 -0.837813 -1.228886
H 3.454828 2.769496 0.344093
H -1.780683 -1.228653 -0.726630
H -4.589471 1.497862 1.192534
H -3.709058 -2.684374 -1.469017
H -6.521806 0.043940 0.432747
H -6.066304 -2.040482 -0.890988


