%chk=000060263.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060263

0 1
 S   0.3913000      -1.533500      0.3160000    
 O    5.430600     -0.2671000     -5.0999999E-02
 O   -2.874900       1.800700     -0.1369000    
 O   -5.014600      0.4506000       1.133100    
 N   2.3800001E-02  0.9871000     -8.8299997E-02
 N   -1.946900     -0.3651000      0.1937000    
 N   -4.611600     -0.9164000     -0.7328000    
 N   -5.854300      -1.513700     -0.7198000    
 C    1.792400     -0.5498000      0.1101000    
 C    1.394800      0.7745000     -9.6400000E-02
 C    3.145900     -0.9234000      0.1295000    
 C    2.389200       1.758100     -0.2905000    
 C    4.109800      6.9399998E-02 -6.4999998E-02
 C  -0.5963000     -0.1511000      0.1183000    
 C    3.738600       1.393300     -0.2725000    
 C   -2.943800      0.5998000      6.3800000E-02
 C    5.746600      -1.640400      0.1664000    
 C   -4.320400      2.6900001E-02  0.2224000    
 H    3.377700      -1.968700      0.2950000    
 H    2.110200       2.795300     -0.4534000    
 H    4.497700       2.156700     -0.4228000    
 H   -2.225400      -1.327900      0.3644000    
 H    5.362700      -2.275500     -0.6393000    
 H    5.419000      -1.978400       1.155600    
 H    6.838000      -1.727300      0.1466000    
 H   -3.952400      -1.189400      -1.455000    
 H   -6.270100      -1.352000      -1.636100    
 H   -5.698800      -2.518900     -0.6549000    


%chk=000060263-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060263

0 1
S 0.642322 -1.872243 0.642943
O 5.650842 0.002956 0.104828
O -2.864507 1.122840 -0.992365
O -4.300516 -1.920867 0.305958
N 0.087936 0.500573 -0.563208
N -1.867810 -0.835084 -0.052755
N -5.332078 -0.051332 -0.667231
N -6.665320 -0.466168 -0.425682
C 1.997093 -0.753156 0.196664
C 1.484901 0.433305 -0.423495
C 3.374143 -0.959541 0.402355
C 2.393925 1.435478 -0.846056
C 4.257622 0.061191 -0.030585
C -0.504837 -0.563574 -0.085895
C 3.768694 1.248107 -0.649902
C -2.918142 -0.027954 -0.482523
C 6.226198 -1.186218 0.738147
C -4.248594 -0.771392 -0.247626
H 3.742740 -1.871360 0.877631
H 2.003877 2.340690 -1.319166
H 4.496100 2.001718 -0.963988
H -2.198518 -1.731730 0.339287
H 5.991944 -2.101918 0.161061
H 5.868145 -1.298968 1.780022
H 7.312303 -1.015084 0.736226
H -5.185603 0.904610 -1.008207
H -6.695115 -1.057839 0.416692
H -7.058945 -0.953241 -1.242931


