%chk=000178799.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178799

0 1
 S    4.699200     -0.7601000     -0.8462000    
 O    4.244000      0.5377000       1.404300    
 N    3.107700       1.249900     -0.4999000    
 C   0.1016000       1.313500     -0.4843000    
 C   -1.248200      0.8662000      8.6900003E-02
 C    1.002900       1.889800      0.6127000    
 C   -2.174400      0.2562000     -0.9713000    
 C    2.361300       2.333300      7.8800000E-02
 C   -3.503600     -0.2020000     -0.4258000    
 C   -3.636400      -1.500700      4.1900001E-02
 C   -4.570900      0.6830000     -0.4002000    
 C   -4.865600      -1.924600      0.5468000    
 C   -5.800100      0.2591000      0.1049000    
 C    3.980200      0.4504000      0.2121000    
 C   -5.947300      -1.044700      0.5783000    
 C    5.762500      -1.632600      0.3241000    
 C    6.487100      -2.774300     -0.3632000    
 H  -6.0699999E-02   2.067900      -1.263300    
 H   0.5874000      0.4538000     -0.9604000    
 H   -1.077800      0.1325000      0.8853000    
 H   -1.745800       1.725000      0.5556000    
 H   0.5071000       2.749800       1.078500    
 H    1.146700       1.136600       1.397400    
 H   -2.345500      0.9859000      -1.773800    
 H   -1.671800     -0.5923000      -1.454300    
 H    2.948100       2.773400      0.8926000    
 H    2.236900       3.096000     -0.6972000    
 H    2.985900       1.057900      -1.489700    
 H   -2.799200      -2.192600      2.3600001E-02
 H   -4.465300       1.700800     -0.7646000    
 H   -4.980300      -2.939500      0.9162000    
 H   -6.642400      0.9444000      0.1301000    
 H   -6.904400      -1.374600      0.9718000    
 H    6.492800     -0.9333000      0.7439000    
 H    5.154800      -2.027400       1.144700    
 H    5.784900      -3.508600     -0.7726000    
 H    7.127400      -2.413800      -1.175500    
 H    7.128000      -3.295500      0.3558000    


%chk=000178799-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178799

0 1
S 5.116011 -0.346663 -1.300735
O 4.437812 0.593920 1.230740
N 3.281854 1.517345 -0.578978
C 0.178872 1.369926 -0.428614
C -1.151931 0.779573 0.088218
C 1.124354 1.798757 0.714431
C -2.095351 0.318144 -1.057536
C 2.448726 2.433517 0.228684
C -3.403797 -0.258459 -0.536521
C -3.515407 -1.637399 -0.219722
C -4.528930 0.576676 -0.311168
C -4.713844 -2.167682 0.309239
C -5.730158 0.052241 0.217588
C 4.202634 0.674539 -0.002407
C -5.826757 -1.323457 0.531039
C 6.090249 -1.457544 -0.113072
C 5.355280 -2.764641 0.209820
H -0.036963 2.244016 -1.080166
H 0.685773 0.615958 -1.065598
H -0.942806 -0.082450 0.753150
H -1.678575 1.531266 0.710183
H 0.610654 2.539154 1.361145
H 1.363035 0.928424 1.355444
H -2.297766 1.183304 -1.719821
H -1.563460 -0.437289 -1.669241
H 3.052578 2.745255 1.098557
H 2.241994 3.330564 -0.385824
H 3.135858 1.467966 -1.588554
H -2.657877 -2.299857 -0.394199
H -4.463642 1.644296 -0.557565
H -4.781734 -3.236202 0.544156
H -6.589754 0.712608 0.380670
H -6.757992 -1.732966 0.938473
H 7.058392 -1.626577 -0.612286
H 6.241290 -0.845094 0.792384
H 4.398385 -2.556761 0.718442
H 5.146206 -3.350954 -0.702012
H 5.973588 -3.386953 0.885660


