%chk=000150257.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150257

0 1
 S   -6.175600       1.219900      0.3535000    
 O   -3.926700     -0.2633000      0.2295000    
 O    5.389000       1.095800     -9.0800002E-02
 O    4.560900      -1.035800     -0.1222000    
 N   0.7728000       1.106000      8.9599997E-02
 N    1.534900     -0.9797000     -3.3000000E-03
 N    3.129700      0.8267000     -1.1000000E-02
 C  -0.3421000      0.3078000      0.1083000    
 C   0.1600000     -0.9892000      4.9400002E-02
 C   -1.705000      0.6000000      0.1696000    
 C    1.868500      0.2912000      2.2600001E-02
 C   -2.582900     -0.4890000      0.1701000    
 C  -0.7363000      -2.071200      5.0999999E-02
 C   -2.109300      -1.801700      0.1121000    
 C   -4.358900       1.097100      0.2874000    
 C    4.375800      0.1743000     -7.9200000E-02
 C   -6.573400      0.3436000      -1.178900    
 C    6.718600      0.5675000     -0.1577000    
 H   0.7829000       2.116800      0.1198000    
 H   -2.005400       1.638500      0.2147000    
 H  -0.3782000      -3.094800      6.0999999E-03
 H   -2.811500      -2.632100      0.1139000    
 H    3.172300       1.842800      1.7800000E-02
 H   -3.989200       1.576600       1.200300    
 H   -4.036700       1.652100     -0.6007000    
 H   -6.263800     -0.7027000      -1.115700    
 H   -6.084500      0.8231000      -2.030900    
 H   -7.654700      0.3737000      -1.338000    
 H    6.922100     -5.6899998E-02  0.7175000    
 H    7.418000       1.407700     -0.1597000    
 H    6.852800     -3.5000001E-03  -1.081400    


%chk=000150257-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150257

0 1
S -6.390879 1.015077 0.330398
O -3.989219 -0.254365 0.383541
O 5.456229 1.081991 -0.114236
O 4.617025 -1.121204 -0.230383
N 0.843649 1.162360 0.156588
N 1.575447 -1.007459 0.019715
N 3.231487 0.809469 0.004434
C -0.317880 0.369074 0.189354
C 0.161169 -0.978588 0.102650
C -1.684585 0.701052 0.284251
C 1.939021 0.275042 0.054492
C -2.585735 -0.392274 0.288256
C -0.765064 -2.046196 0.113780
C -2.134280 -1.742790 0.205458
C -4.536954 1.106375 0.351400
C 4.431569 0.103850 -0.124458
C -6.616364 0.267498 -1.384675
C 6.822031 0.535011 -0.246133
H 0.876178 2.179500 0.195910
H -2.025183 1.736956 0.361695
H -0.414899 -3.080250 0.051509
H -2.890096 -2.533245 0.219142
H 3.343974 1.822384 0.071359
H -4.269017 1.669849 1.265032
H -4.177270 1.638329 -0.550560
H -6.062096 -0.680411 -1.441396
H -6.271772 0.970248 -2.160140
H -7.694655 0.080993 -1.502998
H 7.038030 -0.163606 0.579739
H 7.482110 1.412691 -0.203240
H 6.932129 0.003938 -1.206784


