%chk=000080254.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080254

0 1
 S   -5.091600      0.9418000     -0.5640000    
 O   0.3640000       1.088300       1.519500    
 O   -6.506000      0.7366000      0.2204000    
 O   -5.133200      0.1916000      -1.802400    
 O   -4.740600       2.346900     -0.5290000    
 N    1.498300      -1.704200     -0.1902000    
 N    1.758800     -0.4326000      0.3405000    
 N   -2.696700     -0.1018000      0.1216000    
 C  -0.4769000     -0.9736000      0.6635000    
 C   0.1379000      -1.954800     -1.6700000E-02
 C   0.5873000      3.6699999E-02  0.9408000    
 C   -1.875900     -0.7921000       1.113200    
 C    2.904700      0.3324000      8.2000000E-03
 C  -0.4749000      -3.218400     -0.5212000    
 C    2.486200      -2.759100      1.5000000E-02
 C   -4.061600      6.4900003E-02  0.6071000    
 C    3.244400       1.457600      0.7660000    
 C    3.704600     -3.2600001E-02  -1.079300    
 C    4.372300       2.210400      0.4393000    
 C    4.832600      0.7202000      -1.405700    
 C    5.166400       1.841700     -0.6464000    
 H   -1.880000     -0.2353000       2.058500    
 H   -2.312100      -1.773700       1.337200    
 H  -0.2533000      -3.349300      -1.585500    
 H   -1.563700      -3.218600     -0.4121000    
 H  -8.4700003E-02  -4.083600      2.3800001E-02
 H    2.398300      -3.514500     -0.7731000    
 H    2.323900      -3.249800      0.9818000    
 H    3.518300      -2.400700      1.0300000E-02
 H   -2.717800     -0.6492000     -0.7392000    
 H   -4.085100      0.6443000       1.536100    
 H   -4.532300     -0.9107000      0.7709000    
 H    2.669700       1.760900       1.635100    
 H    3.459000     -0.8755000      -1.718900    
 H    4.636200       3.080100       1.033900    
 H    5.446600      0.4386000      -2.256200    
 H    6.044400       2.428100     -0.9010000    
 H   -6.875900     -0.1772000      0.1971000    


%chk=000080254-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080254

0 1
S -2.125617 0.829245 2.314515
O -0.522462 0.954691 -1.389398
O -2.627930 1.550757 0.063567
O -3.155791 -0.440209 2.277928
O -0.567620 0.339117 2.281064
N 0.941707 -1.758620 0.381994
N 0.994246 -0.472688 -0.221928
N -3.237128 -0.303667 -1.501008
C -1.098203 -1.334242 -0.570650
C -0.364177 -2.233706 0.199473
C -0.257298 -0.174703 -0.807757
C -2.525043 -1.523393 -1.074553
C 2.218209 0.249582 -0.361445
C -0.814526 -3.509015 0.850558
C 1.674562 -1.937235 1.658525
C -3.694724 0.637295 -0.527822
C 2.213613 1.656012 -0.197788
C 3.418111 -0.434581 -0.683307
C 3.417806 2.373037 -0.359775
C 4.619242 0.292936 -0.820224
C 4.624021 1.698568 -0.661829
H -3.129552 -2.001050 -0.281251
H -2.523462 -2.218835 -1.937134
H -0.067499 -4.315671 0.745722
H -1.754937 -3.855957 0.394998
H -1.010065 -3.352621 1.928417
H 1.590297 -2.993692 1.955691
H 1.234960 -1.285047 2.434639
H 2.739168 -1.696441 1.521501
H -2.872647 0.111307 -2.363757
H -4.126108 0.112885 0.345679
H -4.431982 1.328980 -0.970404
H 1.279018 2.165597 0.044171
H 3.397895 -1.517210 -0.850281
H 3.414204 3.461579 -0.238268
H 5.546344 -0.235999 -1.066921
H 5.556235 2.261936 -0.776905
H -1.781267 1.484859 -0.537140


