%chk=000211717.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211717

0 1
S 2.822539 -1.198570 -0.873463
S 0.268978 -2.741986 -1.064629
O 1.003822 2.050363 0.153010
N 0.507524 -0.150822 -0.382826
C 2.850517 0.567017 -0.415364
C 3.714599 0.786476 0.823487
C 1.405263 0.963332 -0.168792
C -0.930802 0.005817 -0.199559
C 1.056800 -1.370990 -0.761373
C 5.198389 0.600969 0.529693
C -1.659419 0.763365 -1.127913
C -1.555593 -0.594436 0.903573
C -3.679219 0.323266 0.152802
C -3.033584 0.919588 -0.943314
C -2.930844 -0.431999 1.071710
C -5.148357 0.505146 0.349328
H 3.248802 1.158374 -1.279902
H 3.402764 0.106507 1.644664
H 3.535109 1.817574 1.207350
H 5.434965 -0.425388 0.220538
H 5.551101 1.273853 -0.261025
H 5.801333 0.810063 1.423354
H -1.161658 1.227022 -1.978559
H -0.979693 -1.185337 1.615314
H -3.606638 1.509142 -1.657537
H -3.425070 -0.897156 1.923496
H -5.351448 1.404153 0.951260
H -5.685900 0.624207 -0.601277
H -5.609380 -0.344551 0.871054


%chk=000211717-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211717

0 1
S 2.896827 -1.327868 -0.847680
S 0.269207 -2.912985 -0.997273
O 1.006158 2.055216 0.045449
N 0.515443 -0.219769 -0.383500
C 2.864325 0.530479 -0.438260
C 3.723127 0.888320 0.795695
C 1.391211 0.896321 -0.236125
C -0.916873 -0.043476 -0.202343
C 1.080994 -1.469057 -0.719852
C 5.228384 0.653170 0.563553
C -1.624393 0.818931 -1.065597
C -1.583288 -0.717203 0.843029
C -3.705771 0.335926 0.162929
C -3.010023 1.002998 -0.878049
C -2.969654 -0.527528 1.015472
C -5.192285 0.560296 0.374692
H 3.239465 1.066058 -1.329116
H 3.372010 0.301761 1.665298
H 3.532200 1.955031 1.022837
H 5.443963 -0.411382 0.356769
H 5.599699 1.250233 -0.290331
H 5.807957 0.945192 1.456940
H -1.098519 1.340439 -1.871170
H -1.026893 -1.388356 1.503995
H -3.558277 1.672451 -1.551010
H -3.486959 -1.058095 1.823301
H -5.369405 1.413877 1.057660
H -5.706889 0.788605 -0.575018
H -5.676845 -0.324583 0.822804


