%chk=000078455.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078455

0 1
 S   0.1594000      0.6082000     -0.5082000    
 S    4.607900     -0.3408000      9.9100001E-02
 O    2.986100     -0.3133000      0.3003000    
 O   0.6448000     -0.5412000      -1.258600    
 O   0.3826000       1.953000      -1.021100    
 O   -5.618200     -0.1217000      0.4312000    
 O    4.841500      -1.559800     -0.9596000    
 O    4.986700      0.8929000     -0.5644000    
 O    5.232000     -0.7146000       1.354600    
 N   -3.998700      -2.381500     -3.8999999E-03
 C   0.8828000      0.5462000       1.115400    
 C   -1.550100      0.3855000     -0.2298000    
 C    2.387700      0.7247000       1.065800    
 C   -2.094900     -0.8984000     -0.2268000    
 C   -2.370800       1.492000     -1.1400000E-02
 C   -3.460700      -1.076000     -5.5000000E-03
 C   -3.736600       1.314400      0.2100000    
 C   -4.281400      3.0500000E-02  0.2131000    
 H   0.4224000       1.333200       1.719700    
 H   0.6300000     -0.4334000       1.533900    
 H    2.643000       1.691600      0.6188000    
 H    2.794600      0.6960000       2.082200    
 H   -1.461500      -1.767200     -0.3888000    
 H   -1.966400       2.500200     -3.3000000E-03
 H   -4.370100       2.180500      0.3810000    
 H   -4.957800      -2.568800      0.2458000    
 H   -3.379800      -3.166700     -0.1629000    
 H   -5.880000      -1.041300      0.2734000    
 H    4.362900      -2.396300     -0.7514000    


%chk=000078455-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000078455

0 1
S 0.408040 0.568703 -0.277890
S 4.364291 -0.601645 -0.102083
O 3.245333 -0.451431 1.451220
O 0.951015 -0.864045 -0.933517
O 0.741514 1.998920 -0.983229
O -5.551385 -0.184942 -0.006529
O 3.352610 -1.628695 -1.084075
O 4.487471 0.894331 -0.698659
O 5.644153 -1.437342 0.348729
N -4.073812 -2.394434 -0.098060
C 1.072397 0.678935 1.559159
C -1.443596 0.327479 -0.162947
C 2.588138 0.849835 1.597264
C -1.950964 -0.985590 -0.156567
C -2.248735 1.483696 -0.158559
C -3.348290 -1.138818 -0.106126
C -3.647269 1.325825 -0.103000
C -4.191285 0.019544 -0.066775
H 0.530728 1.556745 1.950010
H 0.734227 -0.258524 2.027237
H 2.945915 1.574335 0.832979
H 2.868293 1.247675 2.593049
H -1.276970 -1.845706 -0.227706
H -1.794673 2.477902 -0.227852
H -4.317410 2.189037 -0.095198
H -3.888012 -3.005309 0.704098
H -4.060300 -2.910822 -0.984744
H -5.644982 -1.197480 0.010798
H 2.340958 -1.260278 -1.052426


