%chk=000095081.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095081

0 1
 S    2.070300      0.8309000      3.1099999E-02
 O    2.805700     -0.6335000     -2.5699999E-02
 O    2.357500       1.541000      -1.206200    
 O    2.388100       1.426600       1.321600    
 O   -4.353800     -0.4744000      -1.115600    
 O   -4.353600     -0.5582000       1.078100    
 N   -3.758400     -0.3910000     -1.4000000E-02
 C   0.3613000      0.4725000      1.8100001E-02
 C  -0.3217000      0.3759000      -1.194200    
 C  -0.3208000      0.2833000       1.219900    
 C   -2.369100     -9.9100001E-02 -3.0000000E-03
 C   -1.687000      9.0300001E-02  -1.204800    
 C   -1.686100     -2.6000000E-03   1.209400    
 C    4.223200     -0.7043000     -2.9200001E-02
 C    4.644300      -2.157300     -8.5400000E-02
 H   0.1900000      0.5113000      -2.142900    
 H   0.1923000      0.3465000       2.175300    
 H   -2.186100      2.0800000E-02  -2.168000    
 H   -2.184600     -0.1458000       2.164700    
 H    4.612900     -0.1669000     -0.8999000    
 H    4.614400     -0.2360000      0.8798000    
 H    5.734000      -2.248600     -8.9699998E-02
 H    4.246700      -2.707300      0.7738000    
 H    4.245600      -2.639600     -0.9840000    


%chk=000095081-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095081

0 1
S 2.123638 1.039531 0.040251
O 2.776602 -0.696390 -0.028697
O 2.491689 1.805920 -1.339897
O 2.492460 1.695358 1.476138
O -4.368996 -0.617119 -1.163008
O -4.369944 -0.697594 1.117006
N -3.789265 -0.507462 -0.017478
C 0.308050 0.545147 0.021705
C -0.326381 0.429665 -1.225511
C -0.326809 0.338374 1.256893
C -2.344618 -0.136644 -0.003802
C -1.692661 0.080721 -1.237145
C -1.693131 -0.010229 1.242348
C 4.269180 -0.760577 -0.029756
C 4.595781 -2.254041 -0.093590
H 0.223847 0.623249 -2.151127
H 0.223410 0.463358 2.194260
H -2.250470 -0.025818 -2.170676
H -2.251363 -0.184920 2.165297
H 4.658298 -0.218781 -0.912209
H 4.655955 -0.296203 0.896711
H 5.693367 -2.387697 -0.096418
H 4.180796 -2.785429 0.779185
H 4.185663 -2.707920 -1.011279


