%chk=000158864.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158864

0 1
 S  -0.8441000       1.261200     -1.7000000E-03
 O   -1.085100       1.872000       1.295900    
 O   -1.434000       1.874500      -1.181000    
 O   -1.003500      -2.640100      2.8600000E-02
 N   -1.454300     -0.3507000      8.2599998E-02
 N   0.7692000      -1.209800     -0.2267000    
 N   0.7668000       1.184800     -0.2287000    
 C    1.364500      4.0899999E-02 -0.3176000    
 C    2.855400      4.1999999E-03 -0.5171000    
 C  -0.5833000      -1.485900     -3.5100002E-02
 C   -2.909600     -0.5679000      0.2810000    
 C    3.557900      1.6799999E-02  0.8199000    
 H    3.138900     -0.8929000      -1.077900    
 H    3.158400      0.8770000      -1.106000    
 H    1.374300      -2.023200     -0.3056000    
 H   -3.078500      -1.125000       1.207000    
 H   -3.320000      -1.125700     -0.5655000    
 H   -3.441400      0.3850000      0.3532000    
 H    4.643500      2.0999999E-03  0.6820000    
 H    3.279200     -0.8543000       1.422300    
 H    3.299500      0.9125000       1.394800    


%chk=000158864-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158864

0 1
S -0.978675 1.438158 0.067639
O -1.015051 1.958171 1.592939
O -1.894974 2.167812 -1.033142
O -0.909411 -2.630581 0.454942
N -1.512187 -0.415573 0.030646
N 0.784681 -1.070359 0.124016
N 0.813088 1.300578 -0.500212
C 1.374613 0.111169 -0.302209
C 2.873682 0.056040 -0.571812
C -0.601509 -1.426795 0.234391
C -2.963725 -0.665853 0.035924
C 3.695243 -0.181001 0.722163
H 3.075603 -0.741055 -1.313447
H 3.160410 1.017611 -1.026161
H 1.397116 -1.875798 0.282280
H -3.339044 -0.856339 1.056205
H -3.182392 -1.541221 -0.597610
H -3.465746 0.218741 -0.391765
H 4.772353 -0.152396 0.484132
H 3.482621 -1.160949 1.187755
H 3.487104 0.605137 1.467724


