%chk=000013481.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013481

0 1
 S   -1.829100      -1.275200      -1.479500    
 O    2.893000       1.661200      -1.256800    
 O    4.275500       2.317400      0.4655000    
 O  -0.5231000     -0.8533000      -1.947800    
 O   -2.844100      -1.705200      -2.422100    
 N    5.438200     -0.1336000      0.5782000    
 N   0.4263000      -1.757100      0.5728000    
 N   -1.640000      -2.472900     -0.2717000    
 N  -0.7401000      -3.621900       1.537700    
 C    3.205700     -0.9751000     -9.6500002E-02
 C    2.587000     -0.8643000       1.306100    
 C    4.338500      2.5599999E-02 -0.3722000    
 C    1.507600      -1.916100       1.547000    
 C    3.857500       1.465200     -0.3078000    
 C   -2.535100      4.7899999E-02 -0.5443000    
 C  -0.5533000      -2.588400      0.6567000    
 C   -1.698700      0.9732000      5.6000002E-02
 C   -3.911800      0.1346000     -0.4293000    
 C   -3.641400       2.120300      0.9201000    
 C   -2.256100       2.017600      0.7939000    
 C   -4.469300       1.178800      0.3085000    
 C   -4.237600       3.237500       1.707800    
 C    2.350400       2.983900      -1.322200    
 H    3.594000      -1.993300     -0.2321000    
 H    2.422300     -0.8442000     -0.8528000    
 H    2.149900      0.1332000       1.435700    
 H    3.361000     -0.9816000       2.072900    
 H    4.736200     -0.1434000      -1.380100    
 H    1.954900      -2.914400       1.465700    
 H    1.121500      -1.790400       2.565700    
 H    5.784400      -1.091600      0.5426000    
 H    6.218600      0.4612000      0.3020000    
 H   -2.380400      -3.183900     -0.2156000    
 H  -0.6183000      0.9108000     -2.9300001E-02
 H   -4.573300     -0.5923000     -0.8901000    
 H   -1.600300       2.743700       1.267000    
 H   -5.550000       1.246400      0.4025000    
 H   -3.605100       4.130900       1.667900    
 H   -5.218100       3.521700       1.310700    
 H   -4.356100       2.938100       2.753900    
 H   -1.568600      -4.205400       1.493900    
 H  -6.6200003E-02  -3.841500       2.262600    
 H    1.864700       3.240200     -0.3758000    
 H    1.600300       3.004300      -2.117400    
 H    3.137200       3.705300      -1.562300    


%chk=000013481-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013481

0 1
S -1.767360 -1.615937 -1.325449
O 2.134641 1.796869 -0.692599
O 4.183812 2.411108 0.215906
O -0.334403 -1.436278 -2.054306
O -3.060166 -2.195492 -2.132676
N 5.124430 -0.164154 0.123410
N 0.176690 -1.881939 1.159676
N -1.626619 -2.849199 0.006443
N -0.287592 -4.271746 1.286658
C 2.745119 -0.942990 -0.084463
C 2.417475 -0.861959 1.418089
C 3.831551 0.075251 -0.533646
C 1.468143 -1.991636 1.868711
C 3.433998 1.530886 -0.271433
C -2.301927 0.004182 -0.510592
C -0.508487 -2.951439 0.858111
C -1.349871 0.798897 0.144377
C -3.656112 0.348540 -0.643846
C -3.162965 2.414343 0.610313
C -1.802483 2.014838 0.703062
C -4.077145 1.570316 -0.073791
C -3.634774 3.707772 1.249674
C 1.702199 3.211453 -0.585008
H 3.135442 -1.954895 -0.320062
H 1.831462 -0.804069 -0.689901
H 1.936327 0.110403 1.645599
H 3.360130 -0.911981 1.996342
H 3.889610 0.001661 -1.648713
H 1.972972 -2.973587 1.690972
H 1.299260 -1.903108 2.963759
H 5.674054 -0.926315 -0.275687
H 5.657285 0.686827 0.325581
H -2.393763 -3.526933 -0.006207
H -0.312381 0.464886 0.231703
H -4.341277 -0.308108 -1.189479
H -1.087107 2.657299 1.229928
H -5.127276 1.870466 -0.165292
H -2.839472 4.473419 1.253562
H -4.511118 4.125208 0.724310
H -3.931883 3.538861 2.302895
H -0.562307 -5.061999 0.706894
H 0.335115 -4.443530 2.071863
H 1.748644 3.547815 0.464907
H 0.671117 3.214730 -0.964322
H 2.355616 3.855163 -1.197574


