%chk=000070815.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070815

0 1
 S   -4.210200     -2.4100000E-02  0.1019000    
 O   -5.063900       1.258400     -0.4338000    
 O   -4.247800     -3.6300000E-02   1.553100    
 O   -4.584700      -1.191000     -0.6765000    
 N   0.8935000     -0.8135000      0.1162000    
 C    2.215100     -0.3606000     -0.3131000    
 C    2.473800       1.057900      0.2065000    
 C    3.287300      -1.335800      0.1854000    
 C    3.878100       1.536800     -0.1578000    
 C    4.690400     -0.8541000     -0.1796000    
 C    4.948200      0.5624000      0.3261000    
 C  -0.1445000      7.1699999E-02 -0.3895000    
 C   -1.517800     -0.3954000      8.6000003E-02
 C   -2.617500      0.5236000     -0.4250000    
 H    2.254100     -0.3510000      -1.411200    
 H    2.349100       1.097100       1.296600    
 H    1.791100       1.793300     -0.2295000    
 H    3.124800      -2.331300     -0.2458000    
 H    3.219500      -1.446800       1.275700    
 H    4.056300       2.525600      0.2800000    
 H    3.954800       1.650800      -1.246300    
 H    4.813400     -0.8809000      -1.269400    
 H    5.435800      -1.537500      0.2427000    
 H    5.934600      0.9005000     -1.1000000E-02
 H    4.968800      0.5595000       1.423000    
 H   0.7297000      -1.763400     -0.2163000    
 H  -0.1253000      0.1031000      -1.485600    
 H  -3.7799999E-02   1.092400     -1.3600000E-02
 H   -1.540300     -0.4280000       1.182800    
 H   -1.704400      -1.419600     -0.2615000    
 H   -2.625500      0.5613000      -1.518900    
 H   -2.474800       1.537000     -3.5500001E-02
 H   -4.937300       2.094400      7.3500000E-02


%chk=000070815-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000070815

0 1
S -4.353559 -0.026343 0.287400
O -5.358035 1.087467 -0.826528
O -4.559803 0.419140 1.829040
O -4.581846 -1.573268 -0.128641
N 0.917793 -0.554852 0.104531
C 2.292493 -0.177140 -0.319591
C 2.745136 1.147912 0.342964
C 3.264853 -1.318158 0.061095
C 4.202180 1.502262 -0.040706
C 4.725577 -0.978466 -0.317467
C 5.175697 0.356402 0.322991
C -0.181632 0.251823 -0.457957
C -1.530322 -0.215624 0.144338
C -2.681390 0.619706 -0.412401
H 2.348629 -0.038238 -1.432552
H 2.656849 1.025890 1.440888
H 2.071903 1.978229 0.053335
H 2.952440 -2.259140 -0.438210
H 3.187765 -1.487845 1.154128
H 4.504979 2.438698 0.465976
H 4.259679 1.697376 -1.132064
H 4.811555 -0.900721 -1.421117
H 5.395253 -1.801522 -0.002138
H 6.203588 0.608398 -0.002328
H 5.205477 0.240476 1.426081
H 0.752866 -1.560570 -0.051493
H -0.236018 0.204809 -1.576669
H -0.012912 1.312206 -0.191891
H -1.472184 -0.126268 1.243862
H -1.693071 -1.284157 -0.098969
H -2.826169 0.527721 -1.500488
H -2.677757 1.675404 -0.098659
H -6.323410 0.964890 -0.597162


