%chk=000053420.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053420

0 1
 S    1.041000       2.425800      1.3000000E-03
 O   -3.258100      0.6127000      7.9999998E-04
 O    2.847300      -1.904300      1.0000000E-03
 N   0.4270000     -8.5299999E-02 -1.3000000E-03
 N    2.773900      0.4585000      1.1000000E-03
 C  -0.7526000      0.6333000     -1.3000000E-03
 C   -2.065300     -3.8100000E-02 -1.2000001E-03
 C    1.436900      0.7560000     -1.9999999E-04
 C  -0.6219000       2.006100     -8.9999998E-04
 C   -2.258200      -1.400000     -1.5000000E-03
 C   -3.659400      -1.598800      3.9999999E-04
 C   -4.223100     -0.3442000      1.7000000E-03
 C    3.403800     -0.8110000      1.6000000E-03
 C    4.908600     -0.7106000     -1.6000000E-03
 H   -1.390400       2.766800     -8.9999998E-04
 H   -1.494200      -2.165400     -2.6000000E-03
 H    3.382000       1.273900      5.0000002E-04
 H   -4.191900      -2.538900      7.9999998E-04
 H   -5.240600      1.8500000E-02  3.4000000E-03
 H    5.243300     -0.2711000     -0.9452000    
 H    5.347500      -1.706200      0.1064000    
 H    5.241800     -8.4899999E-02  0.8311000    


%chk=000053420-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053420

0 1
S 1.002939 2.634034 0.178982
O -3.239377 0.604346 0.035378
O 2.749284 -1.854285 0.144023
N 0.442553 0.006456 -0.014379
N 2.826141 0.501263 0.016836
C -0.788014 0.695185 0.042932
C -2.007601 -0.088609 -0.006464
C 1.466548 0.821597 0.042114
C -0.703398 2.079750 0.138357
C -2.243369 -1.455943 -0.087354
C -3.677397 -1.637565 -0.097130
C -4.247829 -0.377237 -0.022096
C 3.410829 -0.794164 0.055357
C 4.935498 -0.766193 -0.050349
H -1.517920 2.797536 0.186103
H -1.470178 -2.219385 -0.130936
H 3.473132 1.290425 -0.029320
H -4.214162 -2.582473 -0.152321
H -5.267031 -0.002330 0.000577
H 5.232517 -1.065991 -1.071774
H 5.350788 -1.512429 0.645567
H 5.383445 0.218814 0.169297


