%chk=000113894.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113894

1 1
 S   -3.266400      -2.039200      0.9995000    
 S   -6.118500      -1.205800      0.8729000    
 O    2.073200      -2.273200      0.4585000    
 O   -1.839500      0.8933000     -0.9879000    
 O   -5.373900       3.488300     -0.3797000    
 O   -4.291200       2.327900       1.246000    
 N    2.798400     -0.4565000     -0.7532000    
 N   -4.017100      0.1270000     -0.2371000    
 C    3.898700      -1.230500     -0.4155000    
 C    2.905600      0.7628000      -1.514600    
 C    1.685500      -1.091700     -0.2197000    
 C    3.448700      -2.335300      0.3219000    
 C    3.130000       1.936400     -0.6020000    
 C    5.244300      -1.080600     -0.6784000    
 C   0.3944000     -0.7454000     -0.2675000    
 C    4.287400      -3.308800      0.8154000    
 C  -0.6577000      -1.520700      0.3445000    
 C   -1.949100      -1.174900      0.2971000    
 C    6.122300      -2.055900     -0.1890000    
 C    5.648500      -3.158000      0.5500000    
 C    2.038000       2.630900     -9.7499996E-02
 C    4.426300       2.311600     -0.2737000    
 C   -2.441800      3.0800000E-02 -0.3820000    
 C   -4.467100     -0.8765000      0.4393000    
 C   -4.687400       1.263200     -0.8775000    
 C    2.245900       3.719400      0.7494000    
 C    4.634300       3.400200      0.5733000    
 C    3.544000       4.104100       1.084900    
 C   -6.609500      -2.183900     -0.5639000    
 C   -4.757900       2.385000      0.1151000    
 C   -8.048500      -2.644000     -0.4286000    
 H    1.995000      0.9277000      -2.105700    
 H    3.704700      0.7046000      -2.265400    
 H    5.636900     -0.2650000      -1.271500    
 H   0.1720000      0.1585000     -0.8103000    
 H    3.914500      -4.153000       1.382200    
 H  -0.3779000      -2.430500      0.8702000    
 H    7.187200      -1.966900     -0.3884000    
 H    6.354400      -3.899400      0.9150000    
 H    1.021700       2.349800     -0.3553000    
 H    5.290900       1.800400     -0.6797000    
 H   -4.124200       1.562200      -1.765000    
 H   -5.697300      0.9583000      -1.164400    
 H    1.397200       4.268900       1.146100    
 H    5.645100       3.704100      0.8294000    
 H    3.706000       4.952800       1.742800    
 H   -5.954000      -3.055700     -0.6558000    
 H   -6.499000      -1.580300      -1.470600    
 H   -8.334600      -3.235200      -1.305000    
 H   -8.737900      -1.795300     -0.3634000    
 H   -8.187900      -3.275300      0.4556000    
 H   -5.402100       4.216900      0.2766000    


%chk=000113894-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000113894

1 1
S -3.307862 -1.947073 0.048707
S -6.183219 -0.717927 -0.307472
O 2.164079 -2.407286 -0.027507
O -1.603648 1.338034 -1.368834
O -5.489412 3.662047 -0.537311
O -4.602706 2.250031 1.098008
N 3.076587 -0.511641 -0.870621
N -3.766529 0.441958 -0.909834
C 4.156572 -1.380951 -0.567610
C 3.194566 0.867099 -1.424597
C 1.891155 -1.131086 -0.537672
C 3.582285 -2.564485 -0.046600
C 3.014872 1.962245 -0.378349
C 5.551337 -1.257464 -0.701931
C 0.583477 -0.635529 -0.668945
C 4.325489 -3.670778 0.364281
C -0.549089 -1.389961 -0.317479
C -1.868413 -0.919567 -0.441878
C 6.327124 -2.368484 -0.293651
C 5.731443 -3.548234 0.228244
C 1.918170 2.854138 -0.464725
C 3.952081 2.109626 0.676404
C -2.287732 0.363931 -0.939066
C -4.418968 -0.640775 -0.424672
C -4.405358 1.697884 -1.314824
C 1.761776 3.884828 0.490093
C 3.791705 3.134733 1.632620
C 2.696391 4.025994 1.540098
C -6.455941 -2.481077 0.405328
C -4.826112 2.528551 -0.093456
C -7.964770 -2.693424 0.563005
H 2.448954 0.972568 -2.232092
H 4.192112 0.922184 -1.893361
H 6.025847 -0.356534 -1.100782
H 0.451898 0.382094 -1.041104
H 3.854408 -4.571520 0.764157
H -0.388461 -2.402510 0.075773
H 7.416461 -2.316120 -0.381429
H 6.370402 -4.382120 0.533058
H 1.186109 2.754297 -1.276245
H 4.809284 1.429082 0.753854
H -3.649101 2.268458 -1.885450
H -5.275614 1.517148 -1.968801
H 0.913225 4.572450 0.413808
H 4.520011 3.244916 2.442940
H 2.576051 4.825059 2.279152
H -5.926571 -2.515466 1.371704
H -6.005410 -3.188866 -0.309871
H -8.134752 -3.703437 0.977195
H -8.494848 -2.635227 -0.402713
H -8.412896 -1.966828 1.261621
H -5.755858 4.242617 0.226231


