%chk=000132655.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132655

0 1
 S   -6.251900      0.9911000      0.1505000    
 O   -6.932600      0.5912000      -1.281200    
 O   -6.822500      0.1046000       1.154200    
 O   -6.335700       2.435300      0.3027000    
 N    1.343800      -1.967500     -0.2118000    
 C    6.086200       1.161400      0.1249000    
 C    4.843600      0.3415000      3.6600001E-02
 C    6.636000       1.200100       1.584500    
 C    5.825000       2.634400     -0.3184000    
 C    7.280900      0.6673000     -0.7569000    
 C    3.719600      0.6967000      0.7822000    
 C    4.805500     -0.7806000     -0.7911000    
 C    2.517300      -1.193600     -0.1281000    
 C    2.557400     -7.0299998E-02  0.6999000    
 C    3.643300      -1.547500     -0.8734000    
 C  -2.3300000E-02  -1.647600     -7.5400002E-02
 C   -1.837900     -4.1800000E-02 -0.2926000    
 C   -2.745300      -1.011100      0.1976000    
 C  -0.4800000     -0.3759000     -0.4230000    
 C  -0.9157000      -2.600500      0.4066000    
 C   -2.268000      -2.285900      0.5429000    
 C   -4.103100     -0.6770000      0.3283000    
 C   -4.559900      0.5946000     -1.9700000E-02
 C   -2.315300       1.233100     -0.6377000    
 C   -3.667600       1.547700     -0.5016000    
 H    7.565100       1.778600       1.645500    
 H    5.923500       1.659600       2.278300    
 H    6.845600      0.1873000       1.948400    
 H    5.091000       3.131500      0.3254000    
 H    6.744000       3.231000     -0.2811000    
 H    5.442000       2.669700      -1.345100    
 H    8.155000       1.319200     -0.6386000    
 H    7.595900     -0.3445000     -0.4761000    
 H    7.021700      0.6696000      -1.822100    
 H    3.723300       1.562500       1.438100    
 H    5.649400      -1.101400      -1.391800    
 H    1.704600      0.2174000       1.308700    
 H    3.625200      -2.419200      -1.522900    
 H    1.514800      -2.949400     -0.4104000    
 H   0.2087000      0.3663000     -0.8222000    
 H  -0.5713000      -3.594200      0.6818000    
 H   -2.947100      -3.046700      0.9221000    
 H   -4.801300      -1.425100      0.6982000    
 H   -1.636200       1.993400      -1.017900    
 H   -4.001300       2.541600     -0.7861000    
 H   -6.875900     -0.3628000      -1.524300    


%chk=000132655-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000132655

0 1
S -6.423410 0.826347 0.142188
O -6.791066 0.679330 -1.681153
O -7.189621 -0.370930 0.917480
O -6.671434 2.369297 0.568370
N 1.380079 -2.016061 -0.051898
C 6.246056 1.225268 0.058003
C 4.963439 0.363066 0.007094
C 6.684895 1.413768 1.541879
C 5.955819 2.621202 -0.573083
C 7.421490 0.577189 -0.717856
C 3.782653 0.799957 0.668746
C 4.892426 -0.879821 -0.671971
C 2.533341 -1.183837 -0.045780
C 2.591517 0.050381 0.656448
C 3.702959 -1.637714 -0.707209
C 0.025997 -1.658673 0.017785
C -1.852968 -0.066745 -0.117092
C -2.794093 -1.136943 0.161477
C -0.457061 -0.350617 -0.186763
C -0.919216 -2.718213 0.284477
C -2.282311 -2.464296 0.350735
C -4.190575 -0.851223 0.227942
C -4.604770 0.459847 0.023467
C -2.358550 1.264454 -0.322668
C -3.723923 1.539362 -0.258265
H 7.595301 2.040064 1.594688
H 5.899707 1.908238 2.141437
H 6.906857 0.438817 2.013145
H 5.146418 3.150578 -0.039185
H 6.860925 3.255942 -0.530816
H 5.653212 2.519751 -1.631471
H 8.311727 1.228957 -0.652668
H 7.697475 -0.407481 -0.296899
H 7.182491 0.445352 -1.789511
H 3.790807 1.743678 1.226646
H 5.770358 -1.269137 -1.195425
H 1.724932 0.403191 1.222918
H 3.678172 -2.584959 -1.260878
H 1.565974 -3.015352 -0.155796
H 0.232174 0.460336 -0.436872
H -0.542698 -3.736105 0.445558
H -2.982769 -3.281191 0.557205
H -4.917813 -1.640765 0.446848
H -1.651720 2.074292 -0.534453
H -4.118771 2.549742 -0.398367
H -7.747933 0.945758 -1.810558


