%chk=000019071.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019071

0 1
 S   -3.693500      -1.445400      7.5199999E-02
 S    4.166800      -1.054700     -7.8699999E-02
 O   -1.260900       3.038700      1.2900000E-02
 O   -4.375300      -1.241500      -1.395100    
 O    4.578300      -1.248000       1.491600    
 O   -3.286400      -2.838100      0.1686000    
 O   -4.573800     -0.8573000       1.070300    
 O    3.971100      -2.386200     -0.6334000    
 O    5.113700     -0.1310000     -0.6835000    
 N    1.350500       3.201800     -3.6800001E-02
 N   -3.557900       1.581200      6.2500000E-02
 C   0.1254000       1.045000     -7.0000002E-03
 C   0.1881000     -0.3689000     -3.5000001E-03
 C   -2.242300     -0.4649000      4.3099999E-02
 C   -1.128700       1.676800      1.4900000E-02
 C    1.318500       1.785400     -3.2400001E-02
 C   -1.005000      -1.109200      2.1800000E-02
 C   -2.304000      0.9254000      3.9600000E-02
 C    1.442200      -1.000700     -2.5400000E-02
 C    2.617500     -0.2494000     -5.0700001E-02
 C    2.555800       1.141000     -5.4200001E-02
 H  -0.9433000      -2.195000      2.1600001E-02
 H    1.490400      -2.087700     -1.5000000E-02
 H    3.469200       1.731000     -6.5300003E-02
 H   0.4964000       3.740300     -2.3499999E-02
 H    2.238900       3.685500     -5.7000000E-02
 H   -4.412400       1.041500      7.5700000E-02
 H   -3.630200       2.564800     -0.1559000    
 H   -2.095000       3.285300      0.4434000    
 H   -3.830000      -1.542200      -2.159700    
 H    3.964700      -1.807100       2.023800    


%chk=000019071-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019071

0 1
S -3.770373 -1.477779 -0.008202
S 4.287543 -1.092792 -0.029869
O -1.313183 3.071431 0.035962
O -4.401063 -0.802559 -1.640519
O 4.456763 -1.224725 1.815481
O -3.439574 -3.051847 -0.141225
O -4.782863 -0.953752 1.143021
O 4.148692 -2.583533 -0.641258
O 5.427750 -0.082434 -0.575686
N 1.365915 3.238590 0.054822
N -3.536244 1.730994 -0.007527
C 0.165521 1.085031 0.015936
C 0.222884 -0.366902 -0.021145
C -2.199905 -0.470337 -0.029451
C -1.132037 1.693781 0.022721
C 1.396996 1.860706 0.031788
C -0.986551 -1.140333 -0.050536
C -2.323852 0.938552 0.006083
C 1.487002 -1.035825 -0.026018
C 2.620644 -0.234625 -0.001748
C 2.634552 1.169711 0.025703
H -0.943737 -2.233252 -0.086206
H 1.553874 -2.126478 -0.062217
H 3.585652 1.711516 0.023292
H 0.464580 3.722659 0.055927
H 2.233902 3.767841 0.068398
H -4.124374 1.588504 0.826183
H -4.096357 1.576132 -0.858869
H -2.340767 3.153970 0.020956
H -5.228119 -1.311480 -1.882405
H 5.315530 -1.704366 2.004509


