%chk=000158863.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158863

0 1
 S   0.3565000       1.360200      0.1316000    
 O  -0.1880000       2.016100      -1.046700    
 O   0.3056000       2.061000       1.404800    
 O  -0.4811000      -2.445500      0.3814000    
 N  -0.5201000     -0.1122000      0.3349000    
 N    1.495600      -1.365800     -4.3299999E-02
 N    1.912300      0.9886000     -0.1748000    
 C   -1.976100     -5.8200002E-02  0.6206000    
 C   -2.783000     -0.1300000     -0.6716000    
 C   0.1299000      -1.388300      0.2334000    
 C    2.293900     -0.2461000     -0.2327000    
 C   -4.286200     -0.1236000     -0.4301000    
 C    3.740400     -0.5561000     -0.5076000    
 H   -2.206700      0.8711000       1.154400    
 H   -2.252200     -0.8720000       1.300900    
 H   -2.517800      -1.039100      -1.224600    
 H   -2.527000      0.7138000      -1.322000    
 H    1.940500      -2.277500     -0.1103000    
 H   -4.587000     -0.9812000      0.1801000    
 H   -4.594300      0.7912000      8.6000003E-02
 H   -4.824000     -0.1765000      -1.381700    
 H    3.895800      -1.610500     -0.7500000    
 H    4.329400     -0.3057000      0.3798000    
 H    4.092400      5.7799999E-02  -1.342000    


%chk=000158863-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000158863

0 1
S 0.306485 1.487552 -0.223899
O -0.007733 1.818085 -1.771049
O -0.159079 2.524541 0.911695
O -0.444373 -2.514429 0.020491
N -0.518747 -0.188424 0.238168
N 1.523396 -1.314295 -0.291724
N 2.126447 1.048479 -0.038586
C -1.951478 -0.111552 0.605255
C -2.902559 -0.181651 -0.610560
C 0.113511 -1.382791 -0.021537
C 2.403260 -0.244957 -0.177577
C -4.376637 -0.092053 -0.163086
C 3.878794 -0.592562 -0.214552
H -2.090298 0.834982 1.161559
H -2.154417 -0.946031 1.301629
H -2.725497 -1.131738 -1.147518
H -2.665655 0.641806 -1.310282
H 1.921460 -2.242970 -0.459598
H -4.640401 -0.921801 0.519312
H -4.580760 0.859715 0.362315
H -5.053429 -0.146157 -1.033996
H 4.136061 -1.057477 -1.184269
H 4.135029 -1.297659 0.596218
H 4.475421 0.322888 -0.097909


