%chk=000121940.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121940

0 1
 I    3.902100      0.8867000     -0.8256000    
 S   0.6703000       2.014000      0.2857000    
 O    1.668100      -2.128800     -0.8340000    
 O   -2.925100     -0.8747000     -0.8248000    
 O   -1.788900      -1.987400      0.8083000    
 N   0.4165000     -0.5643000      0.4135000    
 C    1.159600      0.4706000       1.138600    
 C   -1.011400       1.312600     -0.1010000    
 C  -0.7278000     -0.1778000     -0.3868000    
 C    2.448700     -0.2076000      0.6549000    
 C    1.521500      -1.213700     -5.5700000E-02
 C   -1.919100       1.567400       1.110000    
 C   -1.573500       2.020100      -1.335400    
 C   -1.841100      -1.117000     -4.7899999E-02
 H   0.9794000      0.4449000       2.217200    
 H  -0.4580000     -0.3445000      -1.438400    
 H    3.018400     -0.6769000       1.465700    
 H   -1.569900       1.044700       2.007500    
 H   -1.979400       2.636500       1.347200    
 H   -2.943800       1.231500      0.9156000    
 H   -1.686900       3.097100      -1.164200    
 H  -0.9268000       1.887600      -2.210700    
 H   -2.562500       1.630400      -1.598700    
 H   -3.667900      -1.480700     -0.6169000    


%chk=000121940-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121940

0 1
I 4.135114 0.823997 -0.322794
S 0.734952 2.087860 0.201101
O 1.834391 -2.033500 -1.117113
O -2.954027 -1.037838 -0.917956
O -2.050067 -1.716817 1.117368
N 0.481436 -0.568923 0.275973
C 1.213719 0.465273 1.057233
C -1.038609 1.334160 -0.120019
C -0.765061 -0.213038 -0.400585
C 2.543775 -0.272998 0.683613
C 1.656560 -1.169525 -0.247219
C -1.903866 1.567190 1.136695
C -1.631121 2.025999 -1.359827
C -1.943596 -1.077584 0.055986
H 0.977244 0.516564 2.129621
H -0.641109 -0.364876 -1.489079
H 3.028690 -0.796042 1.521472
H -1.500454 1.048845 2.023561
H -1.950675 2.645903 1.359197
H -2.937937 1.207717 0.970382
H -1.809230 3.097417 -1.161152
H -0.956694 1.940738 -2.229305
H -2.598479 1.558457 -1.619524
H -3.722455 -1.598279 -0.623527


