%chk=000100931.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100931

0 1
 S  -0.3326000      0.1103000      0.1492000    
 O   -3.881700      -1.018700     -0.1982000    
 N    2.892400      -1.210400      0.2487000    
 N    4.245800       1.235000      1.4600000E-02
 C   -1.733400     -0.2366000     -0.9379000    
 C    1.005700     -0.3335000      -1.001100    
 C   -3.052200      3.6300000E-02 -0.2688000    
 C    2.357300     -0.1579000     -0.4015000    
 C   -3.573000       1.154700      0.2847000    
 C   -4.853600      0.7722000      0.7503000    
 C    3.022000       1.043100     -0.5164000    
 C   -4.994000     -0.5586000      0.4325000    
 C    4.116300      -1.018600      0.7794000    
 C    4.781000      0.1825000      0.6646000    
 H   -1.687000      -1.284300      -1.254100    
 H   -1.659300      0.3909000      -1.832600    
 H   0.9154000      0.2701000      -1.911200    
 H   0.8771000      -1.381500      -1.295100    
 H   -3.113600       2.130000      0.3550000    
 H   -5.583400       1.389500       1.253900    
 H    2.600300       1.895600      -1.036000    
 H   -5.781700      -1.283100      0.5787000    
 H    4.547000      -1.863700       1.302000    
 H    5.764400      0.3358000       1.091600    


%chk=000100931-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100931

0 1
S -0.306946 0.087010 0.161171
O -3.677440 -1.016982 0.198228
N 3.064064 -1.353924 0.046548
N 4.205241 1.254680 0.307492
C -1.787290 -0.056271 -1.064812
C 1.065769 -0.442665 -1.059330
C -3.078866 0.136743 -0.363965
C 2.410819 -0.239735 -0.414786
C -3.878132 1.239715 -0.091965
C -5.021071 0.771502 0.662830
C 2.989763 1.053517 -0.277089
C -4.864408 -0.595378 0.819213
C 4.280351 -1.152403 0.635549
C 4.846859 0.136597 0.767109
H -1.731250 -1.060299 -1.516705
H -1.645324 0.714397 -1.839286
H 0.954609 0.180860 -1.963622
H 0.928762 -1.507618 -1.302252
H -3.669435 2.265043 -0.391315
H -5.847588 1.371854 1.037295
H 2.466117 1.944605 -0.638774
H -5.447849 -1.376590 1.297974
H 4.800231 -2.043579 1.002357
H 5.822216 0.288023 1.240435


