%chk=000127090.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127090

0 1
 S    2.751300      0.9021000     -0.2740000    
 O    1.722900      0.2528000      0.8305000    
 O   0.9827000      -2.169600     -0.2828000    
 O    4.200000      0.8775000      0.4779000    
 O    2.830300      1.9600000E-02  -1.423500    
 O    2.380000       2.293700     -0.4534000    
 N   -3.554000     -0.3725000     -0.5209000    
 C   -1.858500      0.8185000      0.3059000    
 C   -2.204000     -0.4132000     -0.2545000    
 C  -0.5174000       1.043000      0.6756000    
 C   -1.271800      -1.435700     -0.4642000    
 C   0.4259000      2.9400000E-02  0.4715000    
 C   5.2299999E-02  -1.190100     -8.9699998E-02
 C   -3.047300       1.598200      0.3659000    
 C   -4.072400      0.8389000     -0.1496000    
 C    1.180100      -3.092300      0.7853000    
 H  -0.2209000       1.991200       1.115700    
 H   -1.567800      -2.383500     -0.9024000    
 H   -3.143700       2.606300      0.7451000    
 H   -4.084900      -1.128300     -0.9313000    
 H   -5.123300       1.052800     -0.2848000    
 H    1.953400      -3.804400      0.4844000    
 H   0.2575000      -3.644200      0.9915000    
 H    1.516400      -2.572000       1.687700    
 H    4.198200       1.210000       1.406100    


%chk=000127090-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127090

0 1
S 2.361441 1.701371 0.537252
O 1.031281 -0.526115 2.306241
O 0.477447 -2.922030 0.693013
O 2.960635 0.120812 -0.229554
O 0.528867 1.557656 -0.011376
O 2.815022 2.878728 -0.455153
N -3.246789 -0.253389 -1.097333
C -1.690748 0.777699 0.180621
C -2.058464 -0.459552 -0.394292
C -0.412011 0.873702 0.944517
C -1.302291 -1.671595 -0.261569
C 0.199791 -0.504665 1.342626
C -0.176428 -1.700896 0.555445
C -2.671507 1.747371 -0.192097
C -3.630350 1.084639 -0.980074
C 1.917144 -2.938609 1.062990
H -0.486160 1.478520 1.867569
H -1.592873 -2.591460 -0.781085
H -2.681315 2.804734 0.065293
H -3.764213 -0.972972 -1.599659
H -4.535927 1.460637 -1.450496
H 2.263043 -3.934967 0.746754
H 2.032740 -2.805097 2.149616
H 2.468346 -2.141197 0.534511
H 2.978318 0.264875 -1.221758


