%chk=000100465.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100465

0 1
 S   -6.162000      0.9671000     -0.1717000    
 S    1.990800      -3.226500      0.3797000    
 O   -5.983200       2.148600     -0.9923000    
 O   -7.477200      0.5674000      0.2887000    
 O    6.434300       2.281000     -0.3533000    
 O    4.534000       2.995300      0.4930000    
 N   -3.218700     -8.5500002E-02  0.1076000    
 N   -1.880700     -0.2765000      6.4000003E-02
 N    3.396900      0.4777000      0.1591000    
 N   0.8205000     -0.9499000      1.9600000E-02
 N    4.287100      -1.378300     -0.6746000    
 N    5.236300       2.071200     -8.3999997E-03
 C   -5.427800     -0.4152000      -1.009600    
 C   -5.099000       1.099800       1.244300    
 C   -3.923700     -0.2400000      -1.173700    
 C   -3.630400       1.118400      0.8426000    
 C   -1.544600      -1.506900      0.2749000    
 C  -0.1432000      -1.896000      0.2611000    
 C    3.207500     -0.8395000     -0.1533000    
 C    1.994000      -1.540900      5.7900000E-02
 C    4.679700      0.7997000     -0.1847000    
 C   0.2794000      -3.179400      0.4791000    
 C    2.421200       1.370300      0.7465000    
 C    5.208900     -0.3618000     -0.6964000    
 H   -5.918100     -0.5023000      -1.984100    
 H   -5.657000      -1.313000     -0.4255000    
 H   -5.316800      0.2498000       1.899800    
 H   -5.370700       2.020200       1.769900    
 H   -3.545900      -1.127800      -1.696100    
 H   -3.707100      0.6189000      -1.821600    
 H   -3.406200       2.013400      0.2483000    
 H   -3.038900       1.197000       1.763700    
 H   -2.286900      -2.303500      0.4729000    
 H  -0.3001000      -4.068400      0.6851000    
 H    2.866900       1.874800       1.607400    
 H    2.088900       2.078900     -1.5900001E-02
 H    1.566600      0.8357000       1.154300    
 H    6.205700     -0.5246000      -1.081100    


%chk=000100465-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100465

0 1
S -5.700438 0.575366 1.081400
S 1.849928 -3.245429 -0.338677
O -6.825864 1.198397 0.060678
O -6.004597 0.307938 2.661225
O 6.566740 1.903327 1.266693
O 4.616152 3.081767 0.994582
N -3.400522 0.250698 -1.078956
N -2.112210 -0.148841 -0.795197
N 3.262580 0.606387 0.419230
N 0.626674 -0.859333 -0.298123
N 4.226709 -1.473870 0.381590
N 5.298490 1.973891 1.008306
C -5.082122 -1.070769 0.236934
C -4.107225 1.671894 0.865845
C -4.557908 -0.673873 -1.157857
C -3.698354 1.622141 -0.620365
C -1.751630 -1.419938 -0.854264
C -0.361456 -1.802632 -0.618909
C 3.063536 -0.759327 0.219124
C 1.818117 -1.413327 -0.120304
C 4.629383 0.739933 0.723114
C 0.105398 -3.122044 -0.684576
C 2.241997 1.678187 0.324793
C 5.194751 -0.551582 0.692808
H -5.980261 -1.707749 0.210178
H -4.318942 -1.472043 0.921633
H -3.363206 1.226168 1.544589
H -4.423791 2.670872 1.205123
H -4.288744 -1.575619 -1.735775
H -5.364880 -0.162725 -1.713820
H -4.509065 2.043356 -1.240723
H -2.788911 2.228726 -0.761063
H -2.434573 -2.252312 -1.095055
H -0.466873 -4.018832 -0.915726
H 2.167056 2.206454 1.287616
H 2.540229 2.409208 -0.442101
H 1.284240 1.205734 0.062780
H 6.230091 -0.821000 0.880449


