%chk=000099731.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099731

0 1
 S    2.019600      0.1146000      0.6965000    
 S    3.914700      0.5007000     -0.1112000    
 O    4.632900       1.466200      0.9885000    
 O    4.636900     -0.7567000     -0.1404000    
 O    3.718900       1.273200      -1.322800    
 N   -1.065600     -0.5239000     -0.4850000    
 N  -0.2283000      -2.471300      0.6516000    
 C   -2.430100     -0.8626000     -5.7300001E-02
 C   -2.701800     -0.2295000       1.307900    
 C   -3.419400     -0.3858000      -1.121100    
 C   -2.826200       1.292300       1.239100    
 C   -3.540300       1.137000      -1.175800    
 C   -3.850400       1.727600      0.1958000    
 C  -0.1313000      -1.326800     -0.1083000    
 C    1.270400     -0.9549000     -0.5577000    
 H   -2.571800      -1.947400      9.7000003E-03
 H   -1.918000     -0.4948000       2.026700    
 H   -3.640600     -0.6377000       1.704000    
 H   -4.408900     -0.8073000     -0.9019000    
 H   -3.125800     -0.7615000      -2.108700    
 H   -1.850300       1.732200       1.000200    
 H   -3.116000       1.680700       2.222100    
 H   -4.329400       1.416500      -1.883200    
 H   -2.606600       1.568200      -1.556900    
 H   -4.851600       1.410200      0.5123000    
 H   -3.868000       2.821400      0.1308000    
 H    1.875800      -1.857100     -0.6871000    
 H    1.225200     -0.4252000      -1.514400    
 H   -1.100900      -2.796300       1.050500    
 H   0.5952000      -3.017700      0.8831000    
 H    4.158600       2.308100       1.184600    


%chk=000099731-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099731

0 1
S 1.967711 1.439623 0.316733
S 3.810187 -0.124392 0.889195
O 5.078357 0.492490 -0.328086
O 4.421944 -0.024516 2.380256
O 3.322895 -1.591939 0.359289
N -1.160916 -0.022530 -0.693526
N 0.437258 -1.642767 0.166840
C -2.342546 -0.801223 -0.251038
C -2.673068 -0.468385 1.240963
C -3.547991 -0.440092 -1.157536
C -3.129049 0.997595 1.425555
C -3.986925 1.030417 -0.974264
C -4.326248 1.334117 0.504697
C 0.056718 -0.483509 -0.490145
C 1.200069 0.352537 -1.020990
H -2.164542 -1.901464 -0.333632
H -1.793066 -0.677814 1.880892
H -3.486298 -1.151327 1.563265
H -4.389211 -1.116886 -0.901528
H -3.276253 -0.633439 -2.212215
H -2.284554 1.672312 1.187008
H -3.397372 1.170347 2.485994
H -4.858610 1.245491 -1.622048
H -3.158687 1.687275 -1.301807
H -5.207885 0.732683 0.812293
H -4.607162 2.398522 0.622471
H 2.007779 -0.262803 -1.456578
H 0.822521 1.055011 -1.783568
H -0.254926 -2.244526 0.608948
H 1.437892 -1.866116 0.274510
H 5.948875 0.037707 -0.120348


