%chk=000066511.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066511

0 1
 S    3.020500      -1.156300      2.1400001E-02
 S   0.7917000       3.180300      7.7799998E-02
 S   -3.490400     -0.1452000     -7.1300000E-02
 O    3.637400      -1.496700       1.285400    
 O    3.632800      -1.430200      -1.261100    
 O    1.479000       3.423500      -1.386000    
 O   -3.883900     -0.7504000       1.393900    
 O  -0.3398000       4.092000      0.1712000    
 O    1.846100       3.203300       1.080200    
 O   -4.067900       1.186300     -0.1538000    
 O   -3.789500      -1.152100      -1.075000    
 N    2.455400      0.5056000      6.3800000E-02
 C   0.4791000     -0.8251000     -8.5000005E-03
 C    1.009500      0.4500000      2.2800000E-02
 C    1.413700      -1.831700      4.6999999E-03
 C  -0.8915000      -1.088800     -3.6300000E-02
 C   0.1702000       1.550800      2.8600000E-02
 C   -1.747100      2.9500000E-02 -3.6800001E-02
 C   -1.214800       1.333200     -4.1999999E-03
 C    1.065500      -3.164300     -1.4600000E-02
 C   -1.275000      -2.446500     -5.6800000E-02
 C  -0.3010000      -3.467300     -4.5400001E-02
 H    2.829800       1.127400     -0.6659000    
 H   -1.884300       2.188200     -1.4000000E-03
 H    1.810200      -3.951300     -7.8999996E-03
 H   -2.314000      -2.757400     -5.1500000E-02
 H  -0.6189000      -4.506900     -5.5199999E-02
 H   0.8669000       3.357700      -2.156300    
 H   -3.653300     -0.1788000       2.163600    


%chk=000066511-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000066511

0 1
S 3.217419 -1.318278 0.063195
S 0.864531 3.247445 -0.072725
S -3.562380 -0.084893 -0.074132
O 3.954076 -1.575636 1.475732
O 4.026515 -1.600377 -1.303888
O 0.715140 3.469968 -1.901248
O -3.712823 -0.608558 1.701869
O -0.127685 4.287496 0.657070
O 2.445269 3.192692 0.321177
O -4.181057 1.394159 -0.271005
O -4.079194 -1.316598 -0.989840
N 2.479152 0.447310 0.030230
C 0.531883 -0.891124 -0.007169
C 1.117988 0.438815 -0.007334
C 1.436143 -1.968250 0.022476
C -0.876912 -1.136238 -0.035461
C 0.213719 1.520551 -0.032432
C -1.703844 0.039346 -0.053681
C -1.189650 1.329209 -0.051503
C 1.050255 -3.300926 0.021556
C -1.299737 -2.505725 -0.038899
C -0.359753 -3.547095 -0.010896
H 3.035731 1.314906 0.099145
H -1.865706 2.193934 -0.057411
H 1.767412 -4.125997 0.044563
H -2.367880 -2.736183 -0.077396
H -0.710414 -4.583649 -0.014796
H 0.904511 4.429881 -2.118268
H -4.686306 -0.727384 1.906471


