%chk=000101968.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101968

0 1
 S    1.070100       2.353600      0.8614000    
 O    1.666400       3.432000      9.6400000E-02
 O   0.6677000       2.571000       2.237700    
 O    4.472200      0.2134000      -1.837800    
 O    4.735400       1.010600      0.2679000    
 O    1.399700      -3.737400     -0.8875000    
 N    2.079200      0.9885000      0.7939000    
 N   -4.368100     -0.9670000     -0.4585000    
 N    2.754700      -4.371600      0.8592000    
 C    2.503200      0.4482000     -0.5184000    
 C  -0.3608000       1.792300     -1.1500000E-02
 C   -1.228000      0.8267000      0.5104000    
 C    2.008800     -0.9943000     -0.6786000    
 C   -2.352500      0.4323000     -0.2532000    
 C   -3.228200     -0.5363000      0.2640000    
 C    2.629800      -2.025000      0.2715000    
 C  -0.5824000       2.367100      -1.258200    
 C   -1.012400      0.2410000       1.768500    
 C   -2.568400       1.018300      -1.511100    
 C   -1.688200       1.979400      -2.009000    
 C    4.002200      0.6031000     -0.6238000    
 C   -2.998700      -1.107800       1.515800    
 C   -1.892900     -0.7199000       2.266600    
 C    2.194900      -3.450300      4.1999999E-03
 C   -5.633900     -0.2873000     -0.2935000    
 C   -4.269900      -2.080600      -1.376200    
 H    2.078800       1.062300      -1.320700    
 H   0.9183000      -1.024700     -0.5674000    
 H    2.211800      -1.314300      -1.709400    
 H    2.240100      0.4132000       1.628500    
 H    2.364800      -1.787000       1.307900    
 H    3.723000      -1.997600      0.1938000    
 H   7.9700001E-02   3.114400      -1.683600    
 H  -0.1570000      0.4515000       2.397000    
 H   -3.419400      0.7485000      -2.131400    
 H   -1.866400       2.424400      -2.983700    
 H   -3.674800      -1.859400       1.915700    
 H   -1.710000      -1.173300       3.236600    
 H   -6.095000     -0.5709000      0.6584000    
 H   -5.504000      0.8004000     -0.3021000    
 H   -6.336200     -0.5362000      -1.096200    
 H   -3.764300      -2.930800     -0.9051000    
 H   -5.256700      -2.429400      -1.698800    
 H   -3.705600      -1.797200      -2.270600    
 H    5.447000      0.3055000      -1.898800    
 H    3.404800      -4.105100       1.591600    
 H    2.533700      -5.358800      0.7813000    


%chk=000101968-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101968

0 1
S 0.985363 2.274715 0.550365
O 1.708599 3.219960 -0.574780
O 0.638849 2.856738 2.029445
O 5.577840 0.464366 -0.328283
O 4.701507 0.759053 1.800793
O 1.744073 -2.977225 -2.112683
N 2.098759 0.784043 0.870079
N -4.743752 -1.056620 -0.325708
N 2.725504 -4.347766 -0.523205
C 3.173158 0.642452 -0.147012
C -0.524436 1.494383 -0.292498
C -1.443175 0.679826 0.445901
C 2.950680 -0.617513 -1.026788
C -2.576277 0.163668 -0.311103
C -3.582771 -0.634572 0.374804
C 2.870550 -1.907819 -0.193019
C -0.621878 1.776168 -1.649940
C -1.285200 0.324991 1.824269
C -2.636461 0.395146 -1.722812
C -1.691007 1.183559 -2.382768
C 4.525425 0.632295 0.567312
C -3.351052 -1.008098 1.713028
C -2.209594 -0.535531 2.419205
C 2.400224 -3.100079 -1.036555
C -5.646328 -0.038735 -0.913739
C -5.465275 -2.239538 0.168362
H 3.177889 1.536600 -0.813524
H 2.001871 -0.496489 -1.578004
H 3.760783 -0.679652 -1.774183
H 2.492395 0.968316 1.819334
H 2.135886 -1.746178 0.621937
H 3.843987 -2.140930 0.282716
H 0.120329 2.420680 -2.131649
H -0.456101 0.736318 2.404155
H -3.424253 -0.100489 -2.296925
H -1.751269 1.335417 -3.464622
H -4.080152 -1.629466 2.241158
H -2.082237 -0.821828 3.469103
H -6.477571 0.204977 -0.214846
H -5.101638 0.893469 -1.121922
H -6.088057 -0.408744 -1.858249
H -6.096983 -2.029541 1.063064
H -6.131546 -2.609169 -0.631815
H -4.752381 -3.042015 0.420240
H 6.443324 0.491403 0.163031
H 3.253375 -4.457197 0.340806
H 2.401524 -5.177848 -1.019276


