%chk=000060121.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060121

0 1
 S    4.516200      0.9769000      -1.421700    
 O  -0.3576000      -1.368100      0.8343000    
 O   -1.058000       1.210100       1.598800    
 N   -4.804800       1.100300      -1.417300    
 C    2.435400     -0.9377000      0.1652000    
 C    1.799500      -2.308700      0.3910000    
 C    3.930100     -0.9585000      0.5021000    
 C   0.3233000      -2.311900      1.9300001E-02
 C    4.624500      0.3867000      0.2932000    
 C   -1.452000     -0.7520000      0.2849000    
 C   -1.796500      0.5386000      0.6718000    
 C   -2.209300      -1.433600     -0.6616000    
 C   -2.912300       1.155100      0.1053000    
 C   -3.676500      0.4772000     -0.8446000    
 C   -3.324900     -0.8171000      -1.228000    
 C    5.447000       2.513900      -1.228300    
 C   -1.484100       2.528800       1.935500    
 H    2.275900     -0.6526000     -0.8801000    
 H    1.939800     -0.1821000      0.7863000    
 H    2.323100      -3.069100     -0.1998000    
 H    1.906800      -2.578400       1.448800    
 H    4.432600      -1.726600     -9.9600002E-02
 H    4.057500      -1.253800       1.551200    
 H  -9.6600004E-02  -3.308500      0.1965000    
 H   0.2486000      -2.072400      -1.049500    
 H    4.173700       1.137100      0.9514000    
 H    5.680900      0.2887000      0.5642000    
 H   -1.990800      -2.452800     -0.9651000    
 H   -3.234000       2.158800      0.3640000    
 H   -3.916900      -1.357800      -1.962100    
 H    6.468100       2.303000     -0.9001000    
 H    5.491700       3.031200      -2.190300    
 H    4.955100       3.169200     -0.5047000    
 H   -5.060800       2.038800      -1.141000    
 H   -5.358400      0.6090000      -2.106500    
 H   -2.475700       2.526600       2.400700    
 H   -1.427700       3.203600       1.074500    
 H  -0.7833000       2.911800       2.684800    


%chk=000060121-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060121

0 1
S 5.524194 0.396536 -1.434881
O -0.247497 -0.747963 0.388289
O -1.425211 1.320459 1.573808
N -5.557926 0.635894 -1.035670
C 2.709318 -0.728906 0.005283
C 1.836044 -1.960614 0.328717
C 4.088580 -0.790454 0.698110
C 0.429109 -1.876423 -0.269876
C 4.999084 0.412270 0.392100
C -1.563911 -0.465664 -0.020460
C -2.200647 0.644700 0.618560
C -2.286571 -1.185128 -0.994289
C -3.521718 1.001476 0.276502
C -4.244718 0.266804 -0.708765
C -3.610826 -0.830526 -1.340657
C 6.578670 1.953925 -1.432888
C -2.039025 2.463342 2.246438
H 2.848035 -0.647597 -1.091215
H 2.171173 0.182969 0.327025
H 2.321668 -2.880258 -0.058121
H 1.742860 -2.079064 1.426252
H 4.614302 -1.727125 0.420875
H 3.937316 -0.830375 1.797066
H -0.140319 -2.812030 -0.083854
H 0.474252 -1.699823 -1.366537
H 4.473967 1.365491 0.587026
H 5.922004 0.375982 0.998750
H -1.824141 -2.037484 -1.500794
H -4.006015 1.852192 0.767430
H -4.145731 -1.409606 -2.102207
H 7.414525 1.854151 -0.720728
H 6.978274 2.068068 -2.452761
H 5.965517 2.833858 -1.178148
H -6.008259 1.424207 -0.582676
H -6.078976 0.120593 -1.737607
H -2.940072 2.163347 2.818071
H -2.308696 3.261817 1.526388
H -1.269034 2.834660 2.938944


