%chk=000055524.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055524

0 1
 S   -2.332600       1.581400       1.249700    
 O    2.622100      0.9820000      0.6026000    
 O  -6.2500000E-02  1.5100000E-02  0.3733000    
 O   -3.873200       1.048500      0.9009000    
 O  -0.1110000      0.7487000      -1.822300    
 N   -1.699300       1.570600     -0.3417000    
 C    4.056400       1.104800      0.3773000    
 C    4.644400     -0.3046000      0.1320000    
 C    3.400200      -1.061100     -0.1334000    
 C    2.300200     -0.2793000      0.1759000    
 C    4.259900       2.020700     -0.8362000    
 C    4.665700       1.748700       1.623600    
 C    3.243800      -2.363900     -0.5714000    
 C    1.008700     -0.7575000      6.3800000E-02
 C    1.946600      -2.866500     -0.7011000    
 C   0.8356000      -2.068000     -0.3845000    
 C   -3.923400     -0.2336000      0.2914000    
 C   -5.391100     -0.5906000      3.0400001E-02
 C   -3.268200      -1.272400       1.209100    
 C   -6.090000      0.4397000     -0.8473000    
 C   -3.263800      -2.672300      0.6093000    
 C  -0.5963000      0.7851000     -0.6917000    
 C   -2.372400       2.424300      -1.309700    
 H    5.138200     -0.7075000       1.023000    
 H    5.341800     -0.3305000     -0.7108000    
 H    5.322800       2.183100      -1.042500    
 H    3.794000       1.596900      -1.733000    
 H    3.783900       2.994100     -0.6722000    
 H    4.463900       1.141700       2.513600    
 H    5.748900       1.871900       1.523800    
 H    4.218400       2.731000       1.813600    
 H    4.101700      -2.985000     -0.8048000    
 H    1.794700      -3.886100      -1.044700    
 H  -0.1637000      -2.482200     -0.4897000    
 H   -3.416000     -0.2251000     -0.6807000    
 H   -5.934800     -0.6509000      0.9812000    
 H   -5.475300      -1.564300     -0.4626000    
 H   -2.226400      -1.032600       1.434300    
 H   -3.779400      -1.291300       2.180200    
 H   -7.123700      0.1330000      -1.036900    
 H   -6.116300       1.423600     -0.3688000    
 H   -5.583900      0.5385000      -1.812800    
 H   -2.652400      -3.339500       1.226300    
 H   -4.268600      -3.102200      0.5708000    
 H   -2.842500      -2.669200     -0.4009000    
 H   -1.821900       2.446900      -2.254400    
 H   -3.378700       2.047200      -1.510000    
 H   -2.430600       3.445500     -0.9199000    


%chk=000055524-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055524

0 1
S -2.348953 1.694441 1.398986
O 2.375372 0.946729 0.405873
O -0.411257 0.050568 -0.002440
O -3.901082 0.924232 0.826584
O 0.110611 1.563207 -1.735214
N -1.510228 2.090839 -0.117710
C 3.899849 1.083287 0.231367
C 4.402650 -0.389303 0.038136
C 3.140594 -1.153278 -0.336629
C 2.032206 -0.312796 -0.083341
C 4.103526 1.936506 -1.031864
C 4.413169 1.760827 1.504135
C 2.945192 -2.465694 -0.799031
C 0.718114 -0.761887 -0.311658
C 1.620327 -2.928245 -1.013206
C 0.515009 -2.079013 -0.772287
C -3.815835 -0.546178 0.513716
C -5.149785 -0.828335 -0.203626
C -3.598922 -1.367312 1.798749
C -5.264467 -0.146494 -1.582716
C -3.261891 -2.849686 1.520374
C -0.541448 1.272138 -0.708841
C -1.923621 3.319792 -0.836063
H 4.839824 -0.783665 0.975928
H 5.181453 -0.439193 -0.743379
H 5.180565 2.121913 -1.201646
H 3.688046 1.426452 -1.918456
H 3.589690 2.906675 -0.924672
H 4.164635 1.157804 2.394359
H 5.510967 1.881611 1.455781
H 3.958792 2.759583 1.622663
H 3.798819 -3.124950 -0.990344
H 1.447143 -3.946740 -1.374915
H -0.509803 -2.421928 -0.947952
H -2.964143 -0.706468 -0.179324
H -5.971928 -0.493002 0.458485
H -5.253314 -1.925876 -0.314073
H -2.760577 -0.910498 2.359935
H -4.502202 -1.288562 2.435032
H -6.241052 -0.362043 -2.053296
H -5.164124 0.947546 -1.480042
H -4.472564 -0.500325 -2.269882
H -3.090724 -3.395619 2.465528
H -4.076584 -3.366243 0.980130
H -2.339965 -2.936300 0.914487
H -1.205513 3.508381 -1.648739
H -2.935254 3.192499 -1.260078
H -1.927420 4.171399 -0.136724


