%chk=000100222.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100222

0 1
 S    4.253600      -1.442300     -0.4352000    
 O   -1.916500     -0.4912000       1.025600    
 O   -1.602600       2.357900      -1.129100    
 O   -3.818500       1.718800      0.3269000    
 O   -3.037600      -2.962900      0.3175000    
 O    1.162500       2.209200      0.6827000    
 N   0.2070000      0.1124000      0.2571000    
 N    1.594600      -1.784400     -0.3086000    
 C   -1.817700      0.9972000     -0.8155000    
 C   -3.270600      0.7004000     -0.5099000    
 C   -1.132600      0.5793000      0.4742000    
 C   -3.169200     -0.5775000      0.3115000    
 C   -3.143800      -1.839900     -0.5398000    
 C    1.283800       1.023400      0.3905000    
 C   0.4414000      -1.230800     -8.4700003E-02
 C    2.582600      0.4152000      0.1425000    
 C    2.643200     -0.9269000     -0.1846000    
 C    3.870300       1.021300      0.1869000    
 C    4.870100      0.1208000     -0.1080000    
 H   -1.484900      0.3880000      -1.664700    
 H   -3.902900      0.6233000      -1.398200    
 H   -1.116700       1.399500       1.201900    
 H   -3.959200     -0.6521000       1.067500    
 H   -2.307500      -1.859000      -1.242900    
 H   -4.074800      -1.930300      -1.109100    
 H  -0.6441000       2.486500      -1.229200    
 H   -3.335900       1.730000       1.170200    
 H  -0.4524000      -1.855800     -0.1623000    
 H   -3.036300      -3.755100     -0.2464000    
 H    4.059700       2.060900      0.4218000    
 H    5.934100      0.3068000     -0.1470000    


%chk=000100222-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100222

0 1
S 4.346318 -1.638396 -0.145132
O -2.078832 -0.537278 1.178263
O -1.735551 2.616465 -0.482266
O -4.045546 1.630380 0.348281
O -2.640887 -2.999286 -0.021004
O 0.899542 2.121962 0.032204
N 0.187292 -0.075088 0.483110
N 1.631244 -1.993839 0.417377
C -1.789426 1.170933 -0.528731
C -3.276786 0.721871 -0.484174
C -1.179959 0.505490 0.748945
C -3.201399 -0.658746 0.196377
C -2.947743 -1.797913 -0.802544
C 1.202280 0.883299 0.156923
C 0.429091 -1.440449 0.596939
C 2.514370 0.293047 -0.011060
C 2.641069 -1.111902 0.123862
C 3.752083 0.959679 -0.325695
C 4.815007 0.084071 -0.430540
H -1.288178 0.774243 -1.434671
H -3.711057 0.667050 -1.503728
H -1.064953 1.251716 1.556568
H -4.096766 -0.864996 0.802517
H -2.107049 -1.545734 -1.486098
H -3.867093 -1.931853 -1.411960
H -0.770605 2.839993 -0.305679
H -3.593336 2.518045 0.283473
H -0.436370 -2.060842 0.848249
H -2.592895 -3.784395 -0.621814
H 3.827920 2.039930 -0.462713
H 5.857317 0.305244 -0.653678


