%chk=000117067.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117067

1 1
 S   -5.059000     -0.3525000     -7.8500003E-02
 O   -5.832400     -0.4155000      -1.513300    
 O   -5.449800      0.8651000      0.6089000    
 O   -5.160100      -1.651200      0.5626000    
 N    1.327900      0.7317000      0.4141000    
 C  -1.4800000E-02  0.5428000      0.9879000    
 C   -1.015300      0.3086000     -0.1379000    
 C   -2.428100      0.1176000      0.4102000    
 C    2.133700     -0.3294000      0.2205000    
 C    1.686100       1.985600      0.1078000    
 C   -3.422400     -0.1547000     -0.7079000    
 C    3.418000     -0.1223000     -0.3299000    
 C    2.933400       2.246400     -0.4350000    
 C    3.804600       1.185000     -0.6547000    
 C    1.707600      -1.617600      0.5588000    
 C   0.7369000       3.111800      0.3520000    
 C    4.256100      -1.230500     -0.5297000    
 C    2.553700      -2.706600      0.3532000    
 C    3.823900      -2.514100     -0.1891000    
 H  -0.3005000       1.407600       1.592800    
 H  -1.2900000E-02 -0.2567000       1.732300    
 H  -0.7295000     -0.5855000     -0.7053000    
 H   -1.008800       1.130800     -0.8603000    
 H   -2.726900       1.013800      0.9674000    
 H   -2.438900     -0.7150000       1.124500    
 H   -3.441300      0.6864000      -1.408800    
 H   -3.163600      -1.066900      -1.254500    
 H    3.242600       3.255500     -0.6889000    
 H    4.785600       1.383700      -1.080000    
 H   0.7283000      -1.857600      0.9539000    
 H   0.6333000       3.305700       1.424400    
 H    1.121000       4.039700     -8.9599997E-02
 H  -0.2428000       2.959000     -0.1027000    
 H    5.250500      -1.103600     -0.9519000    
 H    2.221200      -3.708700      0.6089000    
 H    4.479100      -3.365700     -0.3491000    
 H   -5.884500      0.4374000      -2.005200    


%chk=000117067-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117067

1 1
S -5.165346 -0.438368 -0.021484
O -5.862523 -1.049197 -1.621989
O -5.927548 0.901314 0.465783
O -4.934142 -1.659098 1.015259
N 1.372521 0.859138 0.421317
C -0.047910 0.719412 0.892765
C -1.040902 0.471810 -0.268700
C -2.466495 0.257140 0.297645
C 2.129172 -0.318172 0.194995
C 1.894413 2.114821 0.196238
C -3.474806 0.005994 -0.826952
C 3.497092 -0.188393 -0.254464
C 3.236064 2.241887 -0.255686
C 4.029312 1.116338 -0.472813
C 1.586885 -1.620001 0.401402
C 1.062304 3.348871 0.441711
C 4.283157 -1.365102 -0.472989
C 2.384588 -2.750106 0.178256
C 3.738394 -2.630730 -0.258569
H -0.321198 1.635396 1.436422
H -0.086318 -0.100514 1.627339
H -0.730826 -0.414369 -0.854004
H -1.030259 1.334087 -0.962636
H -2.778467 1.140827 0.887650
H -2.469667 -0.612543 0.984176
H -3.707416 0.881551 -1.451856
H -3.251736 -0.879209 -1.442487
H 3.628582 3.246573 -0.423773
H 5.063572 1.226046 -0.815121
H 0.557152 -1.768736 0.730208
H 0.869758 3.505575 1.520389
H 1.601921 4.235091 0.076347
H 0.086082 3.316686 -0.072302
H 5.318621 -1.250676 -0.810200
H 1.957215 -3.744056 0.343456
H 4.338455 -3.529973 -0.422913
H -6.827802 -1.279214 -1.494521


