%chk=000033528.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033528

0 1
 S    3.588700       1.730800      1.2900000E-02
 O    3.203500      -2.040300      3.4400001E-02
 N    2.814500      0.2525000      0.3572000    
 C   -2.178600      4.6599999E-02 -0.1638000    
 C  -0.9796000      8.1100002E-02  0.7898000    
 C   -3.560000      1.7600000E-02  0.4972000    
 C   0.3680000      0.1948000      6.9799997E-02
 C   -4.716200      4.8700001E-02 -0.5042000    
 C    1.550100      0.1681000       1.034500    
 C   -6.065800     -7.4800000E-02  0.2042000    
 C   -7.220600     -1.1500000E-02 -0.7826000    
 C    3.518800     -0.8640000     -7.7500001E-02
 C    4.778500     -0.4399000     -0.7362000    
 C    4.898700      0.8903000     -0.7356000    
 H   -2.082100     -0.8287000     -0.8187000    
 H   -2.126800      0.9271000     -0.8174000    
 H  -0.9898000     -0.8275000       1.404300    
 H   -1.091600      0.9292000       1.476200    
 H   -3.649400      0.8732000       1.177800    
 H   -3.634600     -0.8863000       1.114400    
 H   0.3890000       1.122100     -0.5161000    
 H   0.4652000     -0.6281000     -0.6496000    
 H   -4.602800     -0.7731000      -1.221500    
 H   -4.679300      0.9841000      -1.075500    
 H    1.527000     -0.7687000       1.604300    
 H    1.475400      0.9882000       1.758500    
 H   -6.112900      -1.022000      0.7540000    
 H   -6.176400      0.7323000      0.9379000    
 H   -8.175300     -0.1024000     -0.2552000    
 H   -7.221400      0.9393000      -1.325100    
 H   -7.157100     -0.8242000      -1.513200    
 H    5.485200      -1.140300      -1.152200    
 H    5.740900       1.416300      -1.164100    


%chk=000033528-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033528

0 1
S 3.478535 1.772819 -0.277736
O 3.436522 -2.088928 0.473289
N 2.868583 0.193268 0.348785
C -2.197343 0.134222 -0.236584
C -0.993029 0.049430 0.728196
C -3.560488 -0.001488 0.478490
C 0.366025 0.190302 0.007100
C -4.766093 0.072178 -0.485537
C 1.551263 0.086980 0.992715
C -6.129926 -0.063516 0.229398
C -7.328830 0.005148 -0.741234
C 3.728987 -0.907124 0.111394
C 4.939595 -0.424167 -0.585727
C 4.956977 0.914763 -0.854002
H -2.105702 -0.660531 -1.005630
H -2.163932 1.100513 -0.782168
H -1.024868 -0.920271 1.266908
H -1.088092 0.840585 1.501639
H -3.654696 0.796805 1.244474
H -3.591141 -0.965086 1.029004
H 0.406101 1.162614 -0.524964
H 0.471316 -0.600857 -0.759810
H -4.673875 -0.727016 -1.250629
H -4.737508 1.034968 -1.037955
H 1.557269 -0.906970 1.478482
H 1.465042 0.855274 1.785599
H -6.156103 -1.024178 0.783418
H -6.222795 0.736831 0.991908
H -8.291036 -0.094511 -0.205869
H -7.343241 0.968115 -1.286170
H -7.275240 -0.804138 -1.493851
H 5.735514 -1.120338 -0.851557
H 5.725408 1.504805 -1.352477


