%chk=000178064.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178064

0 1
 S   0.1115000      -3.357100      7.7399999E-02
 O  -0.1495000      0.1502000      -2.211000    
 N   -3.227300      0.1509000     -5.1899999E-02
 N   -3.583900       1.898900       1.250300    
 C    1.042300     -0.7395000     -0.3634000    
 C   -2.725600     -0.6544000      -1.157200    
 C   -1.408400      -1.287900     -0.8248000    
 C    1.980800      0.3258000     -0.1788000    
 C  -0.1683000     -0.5613000      -1.213700    
 C    1.252500      -1.996700      0.2280000    
 C    3.155800      5.7999998E-02  0.5706000    
 C   -1.341500      -2.496500     -0.2515000    
 C    2.418500      -2.222400      0.9624000    
 C    3.360800      -1.210900       1.122900    
 C   -2.983800       1.471200      0.1617000    
 C    1.824700       1.650800     -0.6625000    
 C   -4.026400     -0.3035000      0.9490000    
 C    4.118900       1.061100      0.7742000    
 C    2.789000       2.639800     -0.4490000    
 C    3.939600       2.343000      0.2641000    
 C   -4.235200      0.7973000       1.746100    
 C   -2.144300       2.283300     -0.7428000    
 H   -3.486400      -1.420200      -1.359300    
 H   -2.685300     -4.1200001E-02  -2.061500    
 H   -2.261800      -3.018800     -7.8999996E-03
 H    2.614000      -3.189700       1.420700    
 H    4.258000      -1.426300       1.700400    
 H   0.9521000       1.949400      -1.231800    
 H   -4.369100      -1.326800       1.015300    
 H    5.023300      0.8520000       1.342800    
 H    2.635700       3.639800     -0.8441000    
 H    4.692200       3.107200      0.4315000    
 H   -4.821500      0.8525000       2.651700    
 H   -1.092000       2.132200     -0.5071000    
 H   -2.322000       2.073300      -1.799700    
 H   -2.358800       3.346800     -0.5906000    


%chk=000178064-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178064

0 1
S 0.188814 -3.379205 0.185253
O -0.430242 0.896974 -1.165542
N -3.296397 0.257210 -0.044482
N -4.183930 2.083025 0.958041
C 1.119675 -0.671780 -0.121098
C -2.710663 -0.627631 -1.069607
C -1.365210 -1.208899 -0.648252
C 2.212586 0.299104 0.030376
C -0.215367 -0.263880 -0.663900
C 1.387419 -2.013674 0.255328
C 3.501069 -0.151219 0.526213
C -1.286645 -2.536540 -0.330656
C 2.665457 -2.445191 0.734032
C 3.698063 -1.531026 0.860741
C -3.641082 1.609873 -0.186916
C 2.081661 1.698243 -0.268883
C -3.643746 -0.130802 1.260950
C 4.580375 0.773949 0.690939
C 3.153374 2.582063 -0.089149
C 4.416162 2.126626 0.388549
C -4.185833 1.004388 1.859750
C -3.416774 2.405401 -1.436512
H -3.417179 -1.449308 -1.291955
H -2.570702 -0.027572 -1.982788
H -2.155822 -3.200796 -0.376341
H 2.813637 -3.496963 1.000375
H 4.678798 -1.855072 1.227204
H 1.128363 2.061804 -0.650465
H -3.464256 -1.136360 1.632629
H 5.539694 0.397821 1.065613
H 3.013719 3.643149 -0.323170
H 5.244108 2.831579 0.518396
H -4.571338 1.117615 2.870471
H -2.355419 2.373557 -1.741260
H -4.032306 2.045463 -2.283630
H -3.701462 3.448375 -1.229754


