%chk=000008552.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008552

0 1
 S    4.267500      0.3980000      7.1099997E-02
 O  -0.6244000       2.495200      3.3199999E-02
 O   -1.664500      -2.747000     -1.5600000E-02
 O    4.691500      0.5487000      -1.500800    
 O    4.281600       1.735900      0.6446000    
 O    5.068200     -0.6673000      0.6544000    
 C   0.2403000      0.3109000      2.6200000E-02
 C  -3.1599998E-02  -1.058800      1.2400000E-02
 C   -2.257000      0.8068000      3.3000000E-03
 C   -2.528800     -0.5628000     -1.0100000E-02
 C  -0.8625000       1.293700      2.1700000E-02
 C   -1.426000      -1.545700     -5.7999999E-03
 C    1.566400      0.7595000      4.4500001E-02
 C    2.614100     -0.1620000      4.8500001E-02
 C    1.022700      -1.979900      1.6400000E-02
 C    2.342700      -1.528800      3.4299999E-02
 C   -3.311200       1.728000     -1.0000000E-03
 C   -3.854900      -1.011200     -2.7700000E-02
 C   -4.631400       1.276800     -1.8200001E-02
 C   -4.902600     -8.9900002E-02 -3.1399999E-02
 H    1.780700       1.824900      4.7499999E-02
 H   0.8373000      -3.050700      4.0000002E-03
 H    3.143300      -2.263200      2.8899999E-02
 H   -3.126200       2.798700      9.1000004E-03
 H   -4.092900      -2.071500     -3.8300000E-02
 H   -5.448800       1.992100     -2.1400001E-02
 H   -5.931200     -0.4387000     -4.4900000E-02
 H    4.165700       1.201900      -2.019600    


%chk=000008552-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000008552

0 1
S 4.321080 0.458861 0.078640
O -0.682938 2.585775 0.037363
O -1.710564 -2.836859 -0.014104
O 4.475609 0.617286 -1.763570
O 4.402819 1.931565 0.738421
O 5.286608 -0.734527 0.589062
C 0.184634 0.336465 0.025398
C -0.076663 -1.064108 0.009653
C -2.327464 0.815052 0.013717
C -2.592931 -0.587568 0.000347
C -0.930104 1.340655 0.026341
C -1.484475 -1.586829 -0.002516
C 1.520741 0.806497 0.035851
C 2.541395 -0.146519 0.034843
C 0.995559 -1.990397 0.012335
C 2.328779 -1.537410 0.022171
C -3.406007 1.733616 0.015411
C -3.933005 -1.047915 -0.011129
C -4.735380 1.266497 0.004035
C -4.999488 -0.127102 -0.009194
H 1.716197 1.883741 0.057172
H 0.759150 -3.058545 0.003361
H 3.177060 -2.228596 0.033928
H -3.175139 2.803366 0.025868
H -4.109117 -2.128073 -0.021402
H -5.565877 1.980004 0.005565
H -6.033424 -0.487306 -0.017939
H 5.380946 0.995977 -1.964329


