%chk=000163835.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163835

0 1
 S   -3.491900       1.077800      0.2993000    
 O    1.229700       2.538700     -0.3114000    
 N  -0.8503000      0.7979000      0.4383000    
 N   -2.142400      -1.054700     -0.2610000    
 C   0.4732000      0.3367000      0.2677000    
 C    3.079400     -0.6019000     -6.2300000E-02
 C    1.489500       1.216800     -0.1044000    
 C   0.7600000      -1.012500      0.4749000    
 C    2.792700      0.7474000     -0.2694000    
 C    2.063000      -1.481800      0.3099000    
 C    4.472400      -1.104200     -0.2391000    
 C   -2.037800      0.1874000      0.1426000    
 C   -4.359500     -0.3083000     -0.2176000    
 C   -3.478000      -1.339200     -0.4675000    
 H   1.8000000E-03  -1.720200      0.7963000    
 H    3.581500       1.438100     -0.5580000    
 H    2.275900      -2.533500      0.4825000    
 H  -0.9045000       1.769300      0.7310000    
 H    5.003100     -0.5331000      -1.008400    
 H    5.023900      -1.021600      0.7027000    
 H    4.477900      -2.152100     -0.5578000    
 H   0.2702000       2.675500     -0.3670000    
 H   -5.436000     -0.3041000     -0.3104000    
 H   -3.760300      -2.327000     -0.8058000    


%chk=000163835-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163835

0 1
S -3.703369 1.147654 -0.017979
O 1.045353 2.569190 -0.056531
N -0.927028 0.824242 -0.033181
N -2.318904 -1.164178 -0.013099
C 0.377370 0.273232 -0.038830
C 3.109515 -0.590720 -0.052509
C 1.449452 1.211922 -0.051554
C 0.690008 -1.105454 -0.032887
C 2.789082 0.794346 -0.058255
C 2.042220 -1.520063 -0.039679
C 4.558890 -1.044870 -0.060665
C -2.126092 0.150105 -0.021793
C -4.576973 -0.433715 -0.003631
C -3.682781 -1.485483 -0.003018
H -0.129925 -1.826298 -0.022998
H 3.594517 1.541776 -0.068042
H 2.265663 -2.592896 -0.034875
H -0.945323 1.847983 -0.038746
H 5.092698 -0.685067 -0.960944
H 5.109977 -0.662549 0.819636
H 4.630920 -2.145708 -0.047554
H 1.820600 3.179453 -0.065756
H -5.663694 -0.453467 0.003173
H -3.968677 -2.538037 0.004818


