%chk=000080464.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080464

0 1
 S    1.677000     -9.1399997E-02   1.217400    
 O   0.2945000       2.458500      0.2423000    
 O   -2.867900      -2.042800     -0.1369000    
 N    3.721700      -1.177600     -6.4700000E-02
 N    2.208900      8.8000000E-02  -1.372400    
 C   2.2500001E-02  8.7899998E-02  0.5651000    
 C  -0.4663000       1.329700      0.1596000    
 C  -0.7844000      -1.045500      0.4658000    
 C   -2.080100     -0.9371000     -3.9400000E-02
 C   -1.762000       1.438100     -0.3456000    
 C   -2.568900      0.3048000     -0.4452000    
 C    2.604900     -0.4127000     -0.2459000    
 H  -0.4103000      -2.017600      0.7798000    
 H   -2.157000       2.398600     -0.6659000    
 H   -3.577300      0.3954000     -0.8396000    
 H  -0.2193000       3.216000     -8.6499996E-02
 H   -2.371500      -2.813800      0.1874000    
 H    3.975000      -1.530000      0.8520000    
 H    4.331600      -1.415100     -0.8394000    
 H    2.867000     -0.1920000      -2.108000    


%chk=000080464-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080464

0 1
S 1.596358 -0.875607 1.128732
O 0.765520 1.925453 0.291204
O -3.439056 -1.812215 -0.129599
N 3.960320 -0.290752 0.013686
N 2.155115 -0.745435 -1.573636
C -0.038237 -0.345169 0.504939
C -0.293011 1.008498 0.173933
C -1.072402 -1.299478 0.406791
C -2.365471 -0.907812 -0.012427
C -1.588565 1.390057 -0.251962
C -2.624633 0.439796 -0.344091
C 2.661246 -0.591362 -0.388278
H -0.847405 -2.346614 0.641409
H -1.793611 2.437048 -0.510611
H -3.627777 0.725672 -0.672420
H 0.481781 2.818817 -0.024622
H -3.148540 -2.731821 0.088614
H 4.143112 0.027213 0.964285
H 4.718018 -0.267415 -0.666500
H 2.795336 -0.517476 -2.359545


