%chk=000151506.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151506

0 1
 S   -2.852300      0.3143000      0.1445000    
 O   -4.005200      0.8239000     -0.5745000    
 O   -2.963500     -0.8729000      0.9685000    
 N   -1.543800      0.1779000     -0.9629000    
 N   0.8520000       1.510400     -0.4441000    
 C  -0.3689000     -0.5223000     -0.5345000    
 C   0.8101000      0.1741000     -0.2838000    
 C    1.938300     -0.5608000      0.1370000    
 C  -0.4481000      -1.908400     -0.3785000    
 C    1.858900      -1.954900      0.2940000    
 C   0.6669000      -2.625900      3.6300000E-02
 C    3.125400      0.1398000      0.3895000    
 C   -2.258700       1.638900       1.172800    
 C    3.171700       1.516700      0.2253000    
 C    2.017200       2.148900     -0.1898000    
 H   -1.341500       1.027600      -1.506900    
 H   -1.369900      -2.443200     -0.5925000    
 H    2.726200      -2.526200      0.6174000    
 H   0.6105000      -3.703700      0.1553000    
 H    4.020900     -0.3840000      0.7159000    
 H   -1.366500       1.310100       1.707700    
 H   -2.047700       2.508700      0.5478000    
 H   -3.045400       1.883800       1.890200    
 H    4.081100       2.074100      0.4162000    
 H    1.993200       3.223900     -0.3351000    


%chk=000151506-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151506

0 1
S -3.025519 0.499678 -0.192205
O -3.820716 1.643245 -1.016585
O -3.584989 -1.013783 -0.042339
N -1.352254 0.399798 -1.013732
N 1.075451 1.571175 -0.697090
C -0.326183 -0.386368 -0.454598
C 0.975091 0.239001 -0.328656
C 2.097252 -0.533692 0.149632
C -0.489945 -1.731589 -0.076009
C 1.895558 -1.897121 0.536598
C 0.621951 -2.467979 0.430751
C 3.364156 0.135101 0.212332
C -2.689450 1.152381 1.588921
C 3.460366 1.475685 -0.169587
C 2.283936 2.160291 -0.613361
H -1.033299 1.355244 -1.267990
H -1.469865 -2.205212 -0.185348
H 2.743950 -2.483941 0.906341
H 0.467871 -3.512657 0.721737
H 4.246022 -0.415562 0.559657
H -1.972664 0.455030 2.043906
H -2.287819 2.167895 1.470931
H -3.666288 1.138259 2.091769
H 4.414077 2.010628 -0.133433
H 2.334210 3.215293 -0.905843


