%chk=000080335.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080335

0 1
 S    2.106400       2.028900      0.1642000    
 O    3.263400       2.580800     -0.5157000    
 O    1.803600       2.441500       1.521200    
 O   -2.669900     -0.9778000      -2.055900    
 O   -4.104500     -0.8845000       1.773900    
 O   -4.849900      -1.041600     -0.3676000    
 N   0.7190000       2.229700     -0.8372000    
 N    2.764800      -3.880500      0.1677000    
 C    2.303100      0.2700000      0.1654000    
 C  -0.4680000       1.501500     -0.5220000    
 C    3.090800     -0.3202000     -0.8061000    
 C    1.663800     -0.4786000       1.136900    
 C   -1.003600      0.6058000      -1.447500    
 C   -1.091800       1.685400      0.7120000    
 C   -2.162800     -0.1062000      -1.139100    
 C   -2.786700      7.7900000E-02  9.4899997E-02
 C   -2.251200      0.9737000       1.020400    
 C    3.244600      -1.706600     -0.8059000    
 C    1.817800      -1.864900       1.137300    
 C    2.608300      -2.479000      0.1658000    
 C   -3.997400     -0.6555000      0.4371000    
 H   0.9040000       2.341500      -1.842700    
 H    3.587300      0.2624000      -1.575800    
 H    1.050500     -2.1800000E-02   1.906800    
 H  -0.5195000      0.4573000      -2.410000    
 H  -0.7141000       2.398900       1.437700    
 H   -2.724400       1.152500       1.982400    
 H    3.861600      -2.173600      -1.569300    
 H    1.317800      -2.455500       1.900700    
 H    3.336000      -4.327000     -0.5374000    
 H    2.301700      -4.440700      0.8710000    
 H   -3.444100      -1.440100      -1.697400    
 H   -4.922400      -1.379000       1.995300    


%chk=000080335-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080335

0 1
S 2.106055 1.900280 0.078143
O 3.153705 2.633170 -0.923718
O 1.774974 2.431629 1.573061
O -3.485117 -0.255479 -2.325666
O -4.837416 -0.445417 1.701240
O -5.235230 -0.921485 -0.530784
N 0.516935 2.037749 -0.916455
N 3.541739 -3.972080 0.409397
C 2.542482 0.090176 0.187523
C -0.680749 1.392094 -0.574950
C 3.341557 -0.464027 -0.831571
C 2.076266 -0.659353 1.284864
C -1.483878 0.835011 -1.602156
C -1.119534 1.348480 0.790707
C -2.733051 0.258028 -1.291103
C -3.175666 0.196171 0.079069
C -2.342447 0.748462 1.095169
C 3.677564 -1.824793 -0.752424
C 2.413297 -2.020479 1.356221
C 3.212577 -2.626755 0.337271
C -4.462785 -0.420159 0.361563
H 0.779667 2.126588 -1.907007
H 3.713377 0.164588 -1.647327
H 1.484338 -0.181981 2.071614
H -1.162264 0.843055 -2.648460
H -0.510283 1.821812 1.565527
H -2.696873 0.715028 2.129607
H 4.306216 -2.274530 -1.529250
H 2.063561 -2.620799 2.203532
H 4.112530 -4.410608 -0.308064
H 3.217492 -4.549422 1.180372
H -4.344961 -0.642171 -1.929698
H -5.729880 -0.878084 1.774850


