%chk=000084511.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084511

0 1
 S  -0.2078000      -4.306000      0.5022000    
 S    3.644300       2.137600      0.9050000    
 O  -0.4030000       2.363500     -0.4715000    
 O   -4.486500      -1.013800      0.2088000    
 O  -0.7125000      -5.038300     -0.8675000    
 O    1.238000      -4.445500      0.5553000    
 O   -1.043300      -4.764300       1.598400    
 O    4.945800       2.768400       1.076200    
 O    2.483000       2.966000      0.6118000    
 N    1.379200      0.4684000     -0.2706000    
 N   -2.929600      -3.067900      0.4416000    
 C   -1.064800      0.1167000     -0.1095000    
 C   -2.131400     -0.7668000      6.8099998E-02
 C   0.2499000     -0.3644000     -9.7499996E-02
 C   -1.883300      -2.131700      0.2573000    
 C  -0.5717000      -2.607000      0.2684000    
 C   -1.312200       1.559100     -0.3108000    
 C   -2.704100       2.053400     -0.3205000    
 C   -3.770900       1.169800     -0.1426000    
 C   -3.523500     -0.2726000      5.7999998E-02
 C   0.4926000      -1.725300      9.1300003E-02
 C    2.653500      0.2401000     -0.8194000    
 C   -2.952200       3.418200     -0.5095000    
 C   -5.085600       1.651000     -0.1540000    
 C    3.775300      0.9415000     -0.3672000    
 C   -4.263800       3.893600     -0.5201000    
 C    2.796900     -0.7076000      -1.837000    
 C   -5.328200       3.011900     -0.3429000    
 C    5.029100      0.6969000     -0.9276000    
 C    4.050700     -0.9520000      -2.397500    
 C    5.166700     -0.2497000      -1.942800    
 C    3.314000       1.165100       2.299400    
 C    3.155200       1.791400       3.466900    
 H    1.513100      -2.093000      0.1352000    
 H    1.234300       1.416700      5.8600001E-02
 H   -2.141600       4.128100     -0.6502000    
 H   -5.934600      0.9865000     -1.8100001E-02
 H   -2.739800      -4.054100      0.5463000    
 H   -3.893000      -2.764500      0.4397000    
 H    1.944300      -1.251500      -2.234800    
 H   -4.455500       4.952600     -0.6668000    
 H   -6.348400       3.384700     -0.3516000    
 H    5.918300       1.224200     -0.5955000    
 H    4.157100      -1.684400      -3.192300    
 H    6.142500     -0.4396000      -2.380100    
 H  -0.2599000      -4.747800      -1.694200    
 H    3.249200      8.5800000E-02   2.226100    
 H    2.951600       1.220400       4.366500    
 H    3.220700       2.870000       3.561200    


%chk=000084511-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000084511

0 1
S -0.035664 -4.333610 0.380893
S 3.821064 2.213239 0.831386
O -0.314001 2.502754 -0.296692
O -4.523411 -0.994932 0.384806
O -0.147510 -4.719577 -1.435370
O 1.505344 -4.465180 0.844481
O -1.187925 -5.187594 1.149605
O 5.364358 2.738085 0.989716
O 2.590251 3.222090 0.429743
N 1.402084 0.577651 -0.403676
N -2.915906 -3.009438 0.500237
C -1.032056 0.206680 -0.088842
C -2.127383 -0.703290 0.136313
C 0.320267 -0.277227 -0.188396
C -1.898822 -2.128001 0.282674
C -0.520126 -2.532854 0.215546
C -1.286337 1.661684 -0.197415
C -2.682455 2.152996 -0.170779
C -3.763129 1.248768 0.023605
C -3.516746 -0.204735 0.197208
C 0.544047 -1.676682 -0.008581
C 2.672263 0.178819 -0.886071
C -2.938349 3.539740 -0.325147
C -5.092787 1.740560 0.059061
C 3.865931 0.811429 -0.447388
C -4.260989 4.019398 -0.293113
C 2.823412 -0.828233 -1.884462
C -5.340771 3.117096 -0.100414
C 5.139060 0.500481 -0.946862
C 4.095533 -1.170191 -2.383550
C 5.260565 -0.511893 -1.923063
C 3.353209 1.382766 2.472143
C 2.159810 1.685084 3.008962
H 1.562880 -2.076421 -0.000033
H 1.176082 1.599920 -0.310323
H -2.085742 4.210691 -0.466698
H -5.905033 1.024177 0.212866
H -2.711817 -3.994600 0.703966
H -3.864830 -2.593690 0.536304
H 1.930875 -1.310864 -2.294817
H -4.458396 5.089441 -0.415989
H -6.368684 3.493982 -0.074122
H 6.004487 1.055022 -0.565733
H 4.173670 -1.943135 -3.155450
H 6.244427 -0.775197 -2.322414
H 0.032337 -5.698668 -1.550383
H 4.165206 0.761264 2.859303
H 1.858499 1.270980 3.978023
H 1.471307 2.365018 2.489145


