%chk=000132523.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132523

0 1
 S   -3.591800       2.355900     -0.7013000    
 O    1.499300      -1.665500      0.3603000    
 O   -1.422200      -3.857600      0.2349000    
 N    2.858700      0.7685000     -0.1932000    
 C    3.552700     -0.4500000      0.1955000    
 C    2.778500      -1.677000     -0.2593000    
 C  -0.6682000      -2.702400      0.6221000    
 C    3.595100       1.951300      0.2595000    
 C    2.669200      0.8164000      -1.645100    
 C   0.7225000      -2.790800     -2.4700001E-02
 C   -1.417400      -1.468400      0.2451000    
 C   -1.321500     -0.3277000       1.046400    
 C   -2.027200      0.8509000      0.7030000    
 C    3.804600       1.925100       1.764000    
 C    1.884800       2.051000      -2.055900    
 C   -2.206400      -1.458400     -0.8964000    
 C   -2.815200      0.8366000     -0.4520000    
 C   -2.914200     -0.3118000      -1.262000    
 C   -2.086800       2.127400       1.356900    
 C   -2.894500       3.026500      0.7022000    
 H    4.571000     -0.4860000     -0.2116000    
 H    3.620800     -0.5256000       1.285900    
 H    3.319000      -2.564600      9.5100001E-02
 H    2.703000      -1.782800      -1.345700    
 H  -0.5681000      -2.740000       1.714000    
 H    3.022700       2.862300      5.6899998E-02
 H    4.564600       2.048200     -0.2452000    
 H    3.622800      0.7813000      -2.186600    
 H    2.057400     -1.9600000E-02  -1.994100    
 H   0.6268000      -2.825200      -1.117800    
 H    1.220800      -3.715600      0.2912000    
 H  -0.7021000     -0.3356000       1.940600    
 H    2.877800       1.693900       2.300400    
 H    4.580600       1.215200       2.066900    
 H    4.138500       2.912100       2.103700    
 H   0.9854000       2.182700      -1.444200    
 H    2.485500       2.964400      -2.008300    
 H    1.557700       1.948500      -3.097000    
 H   -2.282200      -2.332600      -1.538300    
 H   -3.526700     -0.3117000      -2.159300    
 H   -1.555900       2.369600       2.269200    
 H  -0.9291000      -4.641400      0.5321000    
 H   -3.106500       4.047900      0.9852000    


%chk=000132523-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000132523

0 1
S -3.972334 2.206045 -0.064360
O 1.756639 -1.922731 0.207470
O -1.283304 -4.015191 0.384468
N 2.992179 0.865235 -0.269514
C 3.657351 -0.455842 -0.124779
C 2.845591 -1.610410 -0.724688
C -0.467922 -2.804791 0.601361
C 3.324497 1.798551 0.843820
C 3.241210 1.460579 -1.612953
C 0.753181 -2.834236 -0.348660
C -1.376167 -1.591049 0.405553
C -0.818172 -0.298329 0.299602
C -1.672522 0.826611 0.153653
C 2.593552 1.459096 2.156370
C 2.182467 2.498040 -2.029669
C -2.790464 -1.761720 0.363880
C -3.089257 0.627649 0.116255
C -3.655840 -0.657646 0.216950
C -1.304787 2.228952 0.039193
C -2.383334 3.075822 -0.079201
H 4.676579 -0.454827 -0.587468
H 3.794471 -0.677371 0.948190
H 3.493982 -2.505644 -0.860489
H 2.427123 -1.329594 -1.715538
H -0.064030 -2.798400 1.638607
H 3.026742 2.815340 0.529437
H 4.429853 1.837305 1.023658
H 4.263751 1.916118 -1.669860
H 3.228273 0.637123 -2.352019
H 0.456334 -2.523161 -1.372330
H 1.164703 -3.868823 -0.396207
H 0.269063 -0.159128 0.326176
H 1.500322 1.496984 2.008764
H 2.844636 0.447789 2.522557
H 2.869537 2.182471 2.946465
H 1.177632 2.041328 -2.024915
H 2.165989 3.371833 -1.352758
H 2.394570 2.873482 -3.048084
H -3.193200 -2.774604 0.438826
H -4.740003 -0.806188 0.184802
H -0.267533 2.573324 0.049867
H -0.775616 -4.804962 0.698032
H -2.391942 4.160372 -0.177366


