%chk=000180663.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180663

0 1
S 3.323201 0.872089 1.008911
O 2.811031 -0.426469 -1.255248
N 1.445190 -0.925711 0.540229
C -0.843994 -1.196288 -0.443527
C -1.700935 -1.140586 0.829093
C 0.533764 -1.829366 -0.207111
C -3.067983 -0.588729 0.522002
C 4.684403 1.517661 -0.078918
C -3.283525 0.798112 0.516439
C -4.132099 -1.456000 0.232017
C 2.468484 -0.266517 -0.106896
C 4.088244 2.478300 -1.084029
C 5.663174 2.157765 0.884284
C -4.551477 1.308941 0.227651
C -5.398464 -0.939570 -0.055814
C -5.611536 0.442416 -0.058215
H -0.728594 -0.176570 -0.865321
H -1.377405 -1.775091 -1.225571
H -1.783039 -2.151181 1.278266
H -1.203759 -0.517517 1.599616
H 1.003566 -2.085971 -1.188855
H 0.443945 -2.780742 0.363596
H 1.168917 -0.685337 1.488824
H 5.139558 0.639379 -0.599744
H -2.462472 1.477820 0.735319
H -3.973701 -2.532171 0.229787
H 4.868269 2.931693 -1.710434
H 3.394143 1.960960 -1.767094
H 3.534188 3.300138 -0.613630
H 6.530832 2.561387 0.342471
H 6.053557 1.442645 1.621852
H 5.224052 2.996655 1.441640
H -4.713987 2.385622 0.225109
H -6.221397 -1.616650 -0.279067
H -6.597952 0.842285 -0.281934


%chk=000180663-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180663

0 1
S 3.453565 0.595577 1.189294
O 2.497643 -0.337663 -1.249834
N 1.524925 -1.240331 0.673285
C -0.755884 -1.491577 -0.396791
C -1.589201 -1.097025 0.853125
C 0.602471 -2.142371 -0.047566
C -2.936072 -0.493508 0.481438
C 4.406735 1.633943 -0.113680
C -3.066512 0.899053 0.241398
C -4.082148 -1.315344 0.324152
C 2.396630 -0.410878 0.002974
C 3.548322 2.817537 -0.586110
C 5.743763 2.054552 0.518017
C -4.305936 1.455720 -0.147256
C -5.324126 -0.763927 -0.064372
C -5.440281 0.625245 -0.302461
H -0.578871 -0.600875 -1.027701
H -1.336057 -2.207686 -1.011922
H -1.739474 -1.999190 1.480023
H -1.006135 -0.372862 1.454863
H 1.109061 -2.457062 -0.976510
H 0.446792 -3.040038 0.581171
H 1.504926 -1.210599 1.693922
H 4.560635 0.925316 -0.946104
H -2.191811 1.550389 0.364067
H -4.001247 -2.393625 0.512857
H 4.102196 3.398626 -1.349540
H 2.609742 2.462359 -1.043233
H 3.304500 3.493670 0.253091
H 6.334802 2.624670 -0.223493
H 6.335953 1.178788 0.834758
H 5.587820 2.706872 1.396857
H -4.388287 2.534128 -0.325016
H -6.199428 -1.414029 -0.176958
H -6.402811 1.055548 -0.601049


