%chk=000078905.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078905

0 1
 S    1.268300     -0.1318000      0.5434000    
 O    1.846600       1.064800       1.138300    
 O    1.375000      -1.407700       1.237800    
 O    4.166700      0.4318000     -0.3374000    
 N   -3.591300      -1.666400     -0.2175000    
 C    2.001900     -0.3529000      -1.061800    
 C  -0.4144000      0.1922000      0.2102000    
 C    3.486000     -0.6477000     -0.9643000    
 C   -1.325500     -0.8611000      0.1305000    
 C  -0.8479000       1.504900      2.3300000E-02
 C   -2.669900     -0.6016000     -0.1361000    
 C   -2.192200       1.764300     -0.2433000    
 C   -3.103200      0.7111000     -0.3230000    
 H    1.479500      -1.174300      -1.560700    
 H    1.834500      0.5777000      -1.613700    
 H    3.669100      -1.554400     -0.3790000    
 H    3.907500     -0.7860000      -1.964700    
 H  -0.9958000      -1.888000      0.2681000    
 H  -0.1549000       2.340000      7.3500000E-02
 H   -2.529400       2.786200     -0.3906000    
 H   -4.148000      0.9262000     -0.5319000    
 H   -4.565900      -1.478600     -0.4115000    
 H   -3.278100      -2.618500     -8.2900003E-02
 H    5.109100      0.1943000     -0.3049000    


%chk=000078905-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000078905

0 1
S 1.516022 0.647960 0.731306
O 1.766949 2.105887 1.421348
O 1.882262 -0.766692 1.517168
O 3.407306 -1.723423 -0.597384
N -2.907757 -2.106267 0.022345
C 2.537768 0.579529 -0.926562
C -0.301965 0.514215 0.213915
C 2.593300 -0.863616 -1.442051
C -0.891244 -0.750667 0.305543
C -0.960289 1.688362 -0.185413
C -2.266409 -0.875378 -0.055015
C -2.322888 1.545068 -0.546166
C -2.964811 0.292691 -0.490595
H 2.023120 1.291249 -1.592921
H 3.524446 0.953764 -0.608767
H 1.565017 -1.264844 -1.583516
H 3.085089 -0.852935 -2.431815
H -0.309006 -1.599348 0.683367
H -0.456774 2.659070 -0.175638
H -2.890936 2.425354 -0.865538
H -4.021947 0.212409 -0.770662
H -3.892913 -2.196098 -0.209055
H -2.416852 -2.931542 0.354629
H 3.030210 -1.660249 0.333277


