%chk=000130003.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130003

0 1
 S   -2.879000     -1.6200000E-02   1.600100    
 O    3.459800     -4.2800002E-02  0.3694000    
 O   -4.787900      6.4800002E-02  -1.737900    
 N   -5.273300      2.4200000E-02  0.5340000    
 C    2.135100      -2.536700      4.6700001E-02
 C    2.197800       2.485500      5.5100001E-02
 C    1.423100      -1.185600     -0.1314000    
 C    1.474100       1.191500     -0.1235000    
 C    2.135800     -2.5200000E-02  4.3000001E-02
 C   8.9800000E-02  -1.206900     -0.4622000    
 C   0.1203000       1.208800     -0.4592000    
 C    1.135300      -3.687200     -0.2001000    
 C    2.690400      -2.646200       1.483300    
 C    3.322900      -2.749600     -0.9190000    
 C    1.237100       3.603000      0.5650000    
 C    2.819000       2.974400      -1.289300    
 C    3.382400       2.454700       1.075900    
 C  -0.5717000      9.6000005E-03 -0.6286000    
 C   -1.983300      2.7700000E-02 -0.9790000    
 C   -3.021100      1.8999999E-02 -0.1173000    
 C   -4.435500      3.9000001E-02 -0.5671000    
 C   -4.671300     -6.0999999E-03   1.842400    
 H  -0.5066000      -2.097400     -0.6113000    
 H  -0.4243000       2.132400     -0.6247000    
 H    1.637600      -4.654300     -6.1999999E-02
 H   0.3054000      -3.689000      0.5171000    
 H   0.7481000      -3.701000      -1.226200    
 H    1.911400      -2.429200       2.224100    
 H    3.049900      -3.663600       1.680600    
 H    3.533400      -1.980400       1.685700    
 H    3.730200      -3.763600     -0.8262000    
 H    3.005100      -2.613400      -1.959500    
 H    4.153600      -2.061300     -0.7411000    
 H    1.792100       4.513400      0.8237000    
 H   0.5111000       3.915400     -0.1934000    
 H   0.6948000       3.286500       1.463800    
 H    2.043900       3.109600      -2.052700    
 H    3.335900       3.932700      -1.164000    
 H    3.540400       2.249100      -1.682500    
 H    3.658200       3.473800       1.377300    
 H    3.110900       1.921600       1.994300    
 H    4.307600       2.039900      0.6655000    
 H   -2.174300      5.1700000E-02  -2.050000    
 H    3.938000      0.3083000     -0.4027000    
 H   -4.989400      0.8814000       2.395400    
 H   -5.004200     -0.9088000       2.360900    
 H   -6.282200      3.4499999E-02  0.4218000    


%chk=000130003-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130003

0 1
S -3.168578 -1.930344 0.431731
O 3.575234 -0.111567 0.033005
O -4.827187 1.674033 0.085356
N -5.484477 -0.562758 0.361048
C 1.955447 -2.469032 0.308203
C 2.554974 2.692740 -0.273021
C 1.355686 -1.044101 0.174794
C 1.646285 1.440655 -0.102144
C 2.181877 0.117127 0.033235
C -0.039397 -0.839728 0.190774
C 0.242728 1.564191 -0.076044
C 0.851090 -3.554484 0.431738
C 2.841583 -2.556536 1.588984
C 2.805044 -2.813436 -0.954426
C 1.719974 3.995812 -0.414847
C 3.409864 2.583951 -1.578892
C 3.464243 2.897306 0.983651
C -0.628202 0.450074 0.072234
C -2.063429 0.714835 0.092183
C -3.146331 -0.113323 0.224928
C -4.533791 0.449367 0.212346
C -5.078337 -1.952700 0.501720
H -0.685814 -1.712034 0.297964
H -0.212248 2.553663 -0.172827
H 1.334598 -4.544446 0.521423
H 0.221555 -3.408682 1.329148
H 0.194122 -3.583821 -0.457390
H 2.239504 -2.349277 2.493284
H 3.260579 -3.576500 1.682156
H 3.674817 -1.838292 1.549104
H 3.215313 -3.836730 -0.858124
H 2.179090 -2.779938 -1.865690
H 3.643900 -2.111648 -1.077960
H 2.405760 4.854039 -0.537568
H 1.058385 3.967425 -1.299225
H 1.101702 4.188304 0.480310
H 2.745687 2.505350 -2.458073
H 4.033398 3.489586 -1.695674
H 4.088206 1.711065 -1.618207
H 4.092721 3.797257 0.850396
H 2.837883 3.042589 1.881998
H 4.143085 2.052950 1.208157
H -2.360516 1.770063 -0.015099
H 4.064552 0.739868 -0.064338
H -5.374371 -2.384915 1.473097
H -5.437919 -2.585932 -0.327561
H -6.471891 -0.304024 0.368344


