%chk=000083263.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083263

0 1
 S   0.8979000      0.6417000      -1.118100    
 O    1.148800     -0.3847000      -2.119700    
 O   0.9021000       2.043000      -1.511700    
 O    4.425000      -1.069500      0.3412000    
 N    1.998500      0.4312000      0.1714000    
 N   -3.244000      -2.324400     -0.4420000    
 C  -0.6410000      0.3113000     -0.3527000    
 C   -1.187600       1.192400      0.5804000    
 C   -1.323500     -0.8569000     -0.6919000    
 C    2.087500     -0.8669000      0.8554000    
 C   -2.416600      0.9052000       1.174200    
 C   -2.552700      -1.144100     -9.8300003E-02
 C  -0.4825000       2.451400      0.9665000    
 C   -3.099400     -0.2630000      0.8348000    
 C    3.487400      -1.066900       1.410400    
 H    2.319100       1.252200      0.6981000    
 H    1.854200      -1.673700      0.1530000    
 H    1.361100     -0.8891000       1.673700    
 H  -0.9127000      -1.557100      -1.414500    
 H   -2.858300       1.580600       1.902200    
 H   0.5398000       2.273500       1.302600    
 H  -0.5010000       3.179900      0.1511000    
 H  -0.9859000       2.932800       1.814100    
 H   -4.056700     -0.4752000       1.304000    
 H    3.564900      -2.018100       1.945800    
 H    3.760600     -0.2595000       2.097200    
 H   -4.134200      -2.533500     -1.0100000E-02
 H   -2.847800      -2.965200      -1.116700    
 H    4.186900      -1.799200     -0.2559000    


%chk=000083263-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000083263

0 1
S 1.063426 0.451642 -0.611583
O 1.443562 -0.939488 -1.422194
O 1.365502 1.897542 -1.286590
O 4.074893 -0.905607 -0.487931
N 1.961994 0.470213 1.056078
N -3.363658 -2.313367 -0.647835
C -0.751094 0.263833 -0.104119
C -1.389537 1.297428 0.617994
C -1.350024 -0.926369 -0.539427
C 2.458575 -0.884306 1.440192
C -2.757419 1.037209 0.904808
C -2.722783 -1.147465 -0.235656
C -0.712793 2.575780 1.070047
C -3.413544 -0.140268 0.499114
C 3.876138 -1.236367 0.915200
H 2.742976 1.133482 0.864428
H 1.723618 -1.627433 1.076393
H 2.443982 -0.928253 2.546614
H -0.759448 -1.651218 -1.110485
H -3.319103 1.792878 1.466094
H 0.141885 2.353335 1.735247
H -0.313796 3.145552 0.212264
H -1.425658 3.214613 1.617230
H -4.471917 -0.282696 0.748103
H 4.062239 -2.314150 1.118713
H 4.638218 -0.650536 1.461445
H -4.347127 -2.465334 -0.445097
H -2.871350 -3.015614 -1.192004
H 3.262144 -1.156835 -1.022543


