%chk=000121401.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121401

0 1
 S   0.5847000       2.088100      0.1279000    
 O    1.809100      -2.018200     -0.8972000    
 O   -2.853700      -1.085100     -0.6551000    
 O   -1.548100      -2.048900      0.9458000    
 N   0.5235000     -0.4941000      0.3656000    
 N    3.196800      0.8254000     -0.5437000    
 C    1.231600      0.6185000       1.005700    
 C   -1.062300       1.257000     -0.1298000    
 C  -0.6900000     -0.2207000     -0.3773000    
 C    2.535600      1.1700000E-02  0.4699000    
 C    1.643000      -1.084300     -0.1457000    
 C   -1.914100       1.497800       1.123900    
 C   -1.744100       1.872800      -1.352900    
 C   -1.711900      -1.220000      6.2899999E-02
 H    1.113800      0.6205000       2.093200    
 H  -0.4705000     -0.4114000      -1.436500    
 H    3.209700     -0.3688000       1.244100    
 H   -1.476900       1.037700       2.017200    
 H   -2.036700       2.568900       1.324800    
 H   -2.921700       1.084300       1.004600    
 H   -1.924100       2.945500      -1.215000    
 H   -1.141800       1.749400      -2.260500    
 H   -2.716600       1.405300      -1.541000    
 H    3.924400      0.3285000      -1.055800    
 H    3.638200       1.663900     -0.1688000    
 H   -3.537900      -1.732000     -0.3803000    


%chk=000121401-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121401

0 1
S 0.633791 2.122545 0.096649
O 1.929098 -1.709493 -1.387204
O -2.897481 -1.300850 -0.639109
O -1.842093 -1.729337 1.390228
N 0.573618 -0.546759 0.265280
N 3.559910 0.933845 -0.103423
C 1.248516 0.559913 0.990905
C -1.091817 1.246964 -0.165281
C -0.738598 -0.303369 -0.334173
C 2.642989 0.007126 0.500707
C 1.761440 -0.962575 -0.407448
C -1.959187 1.530137 1.080661
C -1.734277 1.809306 -1.445561
C -1.831717 -1.187315 0.270184
H 1.056961 0.630537 2.069885
H -0.680148 -0.541460 -1.413084
H 3.152378 -0.554616 1.302022
H -1.509779 1.117409 2.000073
H -2.073741 2.618794 1.212334
H -2.968891 1.091575 0.961396
H -1.958799 2.884518 -1.332113
H -1.070413 1.682655 -2.318211
H -2.683251 1.279301 -1.648645
H 3.215740 1.438164 -0.922351
H 4.536319 0.646531 -0.155056
H -3.610568 -1.871748 -0.242667


