%chk=000096513.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096513

0 1
 S   -3.022000       1.365700      1.1000000E-03
 O    2.514100       2.525500     -1.3000000E-03
 O    3.513000      -2.062500     -1.3000000E-03
 N    1.275600      -1.423800      7.9999998E-04
 N    3.043000      0.2323000     -1.3000000E-03
 N  -0.3482000       1.679900      1.5000000E-03
 N  -0.9871000     -0.4560000      2.7000001E-03
 C   0.7982000      0.9382000      1.3000000E-03
 C   0.3789000     -0.3642000      1.8000000E-03
 C    2.164800       1.348600     -5.0000002E-04
 C    2.668300      -1.159900     -9.9999997E-05
 C   -1.396200      0.7960000      2.4000001E-03
 C   0.7801000      -2.794600      2.3000001E-03
 C   -4.014200     -0.1698000      3.9999999E-04
 C    4.477200      0.5011000     -3.8000001E-03
 C   -5.503400      0.1565000     -6.9999998E-04
 C   -6.342300      -1.113100     -5.2999998E-03
 H  -0.4160000       2.689100      7.9999998E-04
 H    1.599500      -3.517700      8.9999998E-04
 H   0.1682000      -2.952500     -0.8911000    
 H   0.1720000      -2.951800      0.8985000    
 H   -3.755100     -0.7568000      0.8881000    
 H   -3.753700     -0.7565000     -0.8870000    
 H    4.920000      3.8800001E-02 -0.8919000    
 H    4.923000      3.9299998E-02  0.8830000    
 H    4.700600       1.570400     -4.4999998E-03
 H   -5.764800      0.7486000      0.8847000    
 H   -5.762600      0.7531000     -0.8837000    
 H   -6.136800      -1.722400      0.8807000    
 H   -7.407900     -0.8631000     -5.9000002E-03
 H   -6.134700      -1.717400     -0.8943000    


%chk=000096513-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096513

0 1
S -3.119994 1.533930 -0.001943
O 2.682308 2.553159 -0.000092
O 3.458425 -2.108810 -0.000022
N 1.223614 -1.389176 -0.000913
N 3.048767 0.200205 -0.000219
N -0.336994 1.804291 -0.001048
N -1.037972 -0.367220 -0.001497
C 0.820268 1.009107 -0.000739
C 0.352773 -0.311350 -0.001030
C 2.209214 1.373071 -0.000367
C 2.622854 -1.159573 -0.000534
C -1.423726 0.939548 -0.001530
C 0.711452 -2.772740 -0.001001
C -4.019369 -0.143257 -0.001332
C 4.515930 0.403486 0.000361
C -5.536394 0.107847 -0.000882
C -6.313142 -1.229337 -0.000627
H -0.345297 2.824142 -0.000820
H 1.580728 -3.446717 -0.001844
H 0.092126 -2.947922 -0.896967
H 0.093436 -2.948623 0.895744
H -3.682823 -0.689603 0.894252
H -3.683408 -0.689993 -0.896897
H 4.963510 -0.062397 -0.892798
H 4.962870 -0.062954 0.893551
H 4.693624 1.489486 0.000746
H -5.818304 0.702881 0.889379
H -5.818893 0.702853 -0.890975
H -6.070128 -1.833316 0.893391
H -7.402795 -1.046941 0.000037
H -6.071159 -1.833074 -0.895083


