%chk=000156119.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156119

0 1
 S   -1.264600       1.143400      0.3817000    
 S    3.954000       1.701100      0.6190000    
 P    3.160900      2.0400001E-02  3.4100000E-02
 O    1.543600     -9.7800002E-02  0.1335000    
 O  -0.7601000       1.094100     -0.9784000    
 O   -1.069700       2.323200       1.204500    
 O   -3.009100     -0.6960000      -1.575100    
 O    3.416700     -0.4078000      -1.514500    
 O    3.632600      -1.322700      0.8219000    
 N   -3.822600      -1.479000      0.4516000    
 C   -2.997800      0.7861000      0.3372000    
 C  -0.5866000     -0.2450000       1.259700    
 C   0.9181000     -0.1329000       1.410000    
 C   -3.763600       1.920500     -0.3245000    
 C   -3.259500     -0.5253000     -0.3841000    
 C   -4.180900      -2.802000     -4.1000000E-03
 C    3.124400      0.5086000      -2.555900    
 C    4.964300      -1.788800      0.6835000    
 H   -3.317100      0.7236000       1.383800    
 H   -1.071000     -0.2922000       2.239000    
 H  -0.8311000      -1.142000      0.6837000    
 H    1.180000      0.7757000       1.960900    
 H    1.294600     -0.9958000       1.968000    
 H   -3.622100       2.862400      0.2156000    
 H   -4.836500       1.701600     -0.3487000    
 H   -3.436400       2.078700      -1.358300    
 H   -4.029400      -1.245600       1.417900    
 H   -4.052600      -3.500300      0.8261000    
 H   -5.229100      -2.786400     -0.3124000    
 H   -3.554200      -3.103700     -0.8470000    
 H    2.163800      0.9988000      -2.376400    
 H    3.070500     -4.1099999E-02  -3.498900    
 H    3.919300       1.255000      -2.626800    
 H    5.667400      -1.041600       1.059200    
 H    5.180200      -2.011300     -0.3644000    
 H    5.075200      -2.704600       1.269300    


%chk=000156119-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156119

0 1
S -1.115805 0.560931 -0.866864
S 2.404550 -0.572027 2.503668
P 2.894740 -0.469203 0.496838
O 1.679290 -0.962449 -0.644584
O -0.575662 1.464171 -2.115101
O -0.677623 0.968830 0.675645
O -4.418262 -1.353130 -0.188023
O 3.400819 1.030070 -0.165216
O 4.177887 -1.466169 -0.066233
N -3.194665 -0.203597 1.451543
C -3.129237 0.615686 -0.861492
C -0.626487 -1.320218 -1.153026
C 0.481689 -1.683343 -0.186337
C -3.621745 0.420098 -2.285324
C -3.638929 -0.411294 0.164918
C -3.595173 -1.069578 2.567951
C 2.487814 2.205399 -0.084995
C 5.470045 -1.411708 0.658917
H -3.245784 1.652473 -0.496060
H -1.551742 -1.894925 -0.979846
H -0.315740 -1.335056 -2.208144
H 0.232462 -1.397590 0.855612
H 0.664448 -2.774676 -0.234467
H -3.049725 1.053602 -2.985673
H -4.685634 0.712350 -2.341001
H -3.565078 -0.637325 -2.591764
H -2.426226 0.474218 1.588318
H -2.715138 -1.559684 3.022938
H -4.114990 -0.484747 3.348167
H -4.280734 -1.839659 2.180817
H 1.707800 2.120716 -0.859463
H 3.140294 3.069813 -0.276909
H 2.026471 2.279832 0.915811
H 5.318329 -1.574622 1.742088
H 5.968052 -0.443273 0.480119
H 6.061286 -2.232618 0.227872


