%chk=000090153.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090153

0 1
 S    3.402200      -1.713100      8.3400004E-02
 N   0.1807000      0.8271000      0.4307000    
 N   -4.624900     -0.2031000      0.1554000    
 C    1.530200      0.4429000     -1.9600000E-02
 C  -0.8156000     -4.5600001E-02 -0.1608000    
 C    1.752900      -1.018300      0.4327000    
 C    2.522900       1.414000      0.6361000    
 C    1.584200      0.5909000      -1.548200    
 C   -2.232400      0.3120000      0.2933000    
 C   -3.300200     -0.6069000     -0.3030000    
 H   0.1241000      0.7762000       1.447800    
 H  -0.8225000      1.3400000E-02  -1.253200    
 H  -0.6952000      -1.091900      0.1275000    
 H    1.097200      -1.725900     -7.8599997E-02
 H    1.587400      -1.121200       1.511600    
 H    3.548300       1.245800      0.2903000    
 H    2.518300       1.314200       1.727900    
 H    2.273400       2.455100      0.3976000    
 H    1.142000       1.538300      -1.879600    
 H    2.623500      0.5972000      -1.898900    
 H    1.089300     -0.2289000      -2.079700    
 H   -2.448800       1.351600      1.2400000E-02
 H   -2.284200      0.2638000       1.389400    
 H   -3.114000      -1.645400     -8.5000005E-03
 H   -3.269800     -0.5583000      -1.396600    
 H    3.318200      -1.656100      -1.253600    
 H   -4.672600     -0.2723000       1.171100    
 H   -5.320500     -0.8531000     -0.2081000    


%chk=000090153-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000090153

0 1
S 3.825347 -1.527051 -0.020153
N 0.152069 0.607260 0.372243
N -4.755248 -0.088841 0.283274
C 1.576679 0.397193 -0.032673
C -0.928264 -0.201071 -0.233823
C 2.044315 -1.015872 0.440597
C 2.408457 1.493414 0.671514
C 1.707494 0.544834 -1.566715
C -2.297868 0.256122 0.309192
C -3.471826 -0.550236 -0.283119
H 0.058771 0.665501 1.396375
H -0.907824 -0.047763 -1.329570
H -0.825236 -1.302009 -0.061313
H 1.372980 -1.802526 0.056238
H 2.042142 -1.063085 1.544576
H 3.485573 1.348528 0.478258
H 2.251214 1.464464 1.767987
H 2.102078 2.489428 0.308607
H 1.204878 1.473035 -1.889557
H 2.771099 0.602603 -1.854725
H 1.252184 -0.305515 -2.108332
H -2.446319 1.328442 0.090736
H -2.307204 0.147559 1.416512
H -3.273705 -1.641036 -0.128252
H -3.503926 -0.385756 -1.377777
H 3.560869 -1.838745 -1.343474
H -4.818102 -0.190452 1.301555
H -5.586526 -0.456026 -0.189380


