%chk=000148510.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148510

0 1
 S  -0.6974000      -2.222100      0.1830000    
 O   -1.578700      -3.180200     -0.4740000    
 O  -0.2555000      -2.494000       1.545300    
 O    3.988000       2.261900      0.3695000    
 N   0.6746000      -1.975800     -0.8297000    
 N    2.221400     -0.9178000      0.6023000    
 N   -3.385500       3.080700      7.5800002E-02
 C   -1.486500     -0.6650000      0.1515000    
 C   -2.447900     -0.3899000     -0.8211000    
 C   -1.155600      0.3041000       1.098800    
 C    1.528300     -0.8525000     -0.5513000    
 C   -2.747400       1.823000      0.1005000    
 C   -3.078200      0.8541000     -0.8465000    
 C   -1.786100       1.548000       1.073200    
 C    1.589100      0.1944000      -1.449100    
 C    2.427800       1.259200      -1.138900    
 C    3.163500       1.236800      4.0800001E-02
 C    3.026000      0.1351000      0.8700000    
 H   0.5104000      -2.140300      -1.831900    
 H   -2.716000      -1.126300      -1.573300    
 H  -0.4099000      0.1128000       1.865200    
 H   -3.824400       1.057000      -1.610400    
 H   -1.519300       2.295000       1.816500    
 H    1.008600      0.2006000      -2.365100    
 H    2.503100       2.103100      -1.818700    
 H    3.572800      5.9599999E-02   1.804700    
 H   -4.081300       3.281400     -0.6302000    
 H   -3.144600       3.784100      0.7612000    
 H    4.410000       2.063800       1.223300    


%chk=000148510-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148510

0 1
S -0.674815 -1.656990 -0.260644
O -1.429984 -2.753694 -1.204547
O 0.075431 -2.095679 1.111831
O 5.315203 1.411745 0.346271
N 0.589874 -0.921836 -1.513594
N 1.718760 0.467351 0.029644
N -4.623549 2.766533 0.909542
C -1.860087 -0.269739 0.082979
C -3.067306 -0.247440 -0.638330
C -1.534106 0.683722 1.064099
C 1.803463 -0.406100 -1.019246
C -3.706504 1.759656 0.632975
C -3.993588 0.771037 -0.357994
C -2.464644 1.698920 1.338823
C 3.050642 -0.729973 -1.634665
C 4.221230 -0.098152 -1.184604
C 4.131599 0.805872 -0.099457
C 2.862045 1.041683 0.483305
H 0.667993 -1.644115 -2.249179
H -3.276121 -1.021814 -1.383282
H -0.570623 0.632323 1.579028
H -4.944163 0.805521 -0.902517
H -2.234252 2.454151 2.098987
H 3.093792 -1.457326 -2.451887
H 5.195097 -0.306646 -1.636218
H 2.757764 1.716781 1.344903
H -5.508296 2.818207 0.412753
H -4.429525 3.469499 1.616893
H 5.143971 1.997304 1.125529


