%chk=000033507.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033507

0 1
 S   -2.387300     -0.4029000       1.179400    
 S   -2.230300      0.7210000      -1.580800    
 O    2.049700     -0.5869000     -0.2314000    
 O    3.432700       1.092000      0.5268000    
 N    1.042000      0.3370000      7.7500001E-02
 N    4.266700     -0.9333000     -0.2337000    
 C   -1.372800      0.5633000      1.8999999E-02
 C   -3.957600     -0.2180000      0.2810000    
 C   -3.630500     -0.3665000      -1.197600    
 C   -1.091000       1.947700      0.5922000    
 C   -4.958500      -1.266000      0.7469000    
 C  -0.1007000     -0.1926000     -0.2058000    
 C    3.265000     -3.3100002E-02  6.6100001E-02
 C    5.672500     -0.6615000     -3.9600000E-02
 H   -4.361400      0.7799000      0.4903000    
 H   -3.357400      -1.396000      -1.456800    
 H   -4.487000     -8.6900003E-02  -1.819300    
 H  -0.5614000       1.892500       1.552000    
 H  -0.4636000       2.548400     -7.8900002E-02
 H   -2.014600       2.514200      0.7652000    
 H   -4.594600      -2.285700      0.5770000    
 H   -5.181900      -1.155100       1.813800    
 H   -5.902300      -1.158100      0.2012000    
 H  -0.1718000      -1.215700     -0.6225000    
 H    4.001800      -1.836900     -0.6136000    
 H    5.831200      0.3315000      0.3872000    
 H    6.170400     -0.7325000      -1.009600    
 H    6.077500      -1.423000      0.6312000    


%chk=000033507-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033507

0 1
S -2.578834 0.152935 1.386151
S -2.441752 1.104758 -1.559101
O 1.915633 -0.459173 -0.163808
O 3.620601 1.055572 0.596049
N 0.936397 0.604377 0.141244
N 4.078125 -1.102601 -0.226449
C -1.454521 1.044785 0.088071
C -4.017838 -0.342245 0.222842
C -3.444722 -0.446220 -1.196727
C -1.124483 2.473707 0.535128
C -4.640097 -1.658400 0.720921
C -0.261660 0.147379 -0.126952
C 3.271845 -0.041600 0.123492
C 5.533058 -1.050919 -0.062195
H -4.749254 0.482572 0.267507
H -2.808447 -1.340892 -1.306721
H -4.250013 -0.475533 -1.952247
H -0.547491 2.455927 1.474616
H -0.501098 2.981661 -0.221922
H -2.054884 3.042217 0.689437
H -3.896174 -2.474667 0.712650
H -5.024751 -1.554498 1.750536
H -5.489002 -1.945713 0.071943
H -0.445550 -0.870984 -0.499132
H 3.629068 -1.936451 -0.605256
H 5.792433 -0.061024 0.345579
H 6.051192 -1.181318 -1.030270
H 5.887019 -1.826850 0.641815


