%chk=000004438.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004438

0 1
 S   -1.640600       2.899600      6.8999998E-02
 S   -3.364100      -2.207400     -9.6299998E-02
 S    4.397200     -0.7955000      7.0100002E-02
 O   -1.192100       3.473800      -1.391300    
 O   -3.717300      -2.526500       1.467800    
 O   -3.087800       2.992300      0.1429000    
 O  -0.7970000       3.509700       1.080200    
 O    4.827500     -0.8974000      -1.503900    
 O   -4.516000      -1.518600     -0.6597000    
 O   -2.860000      -3.429100     -0.7038000    
 O    5.236300      0.2293000      0.6741000    
 O    4.362200      -2.142900      0.6170000    
 C   0.1083000      0.7373000      3.9900001E-02
 C   0.3621000     -0.6548000      6.8000001E-03
 C   -1.219800       1.193500      3.0200001E-02
 C   -2.033000      -1.078200     -4.4399999E-02
 C  -0.7198000      -1.549300     -3.5100002E-02
 C   -2.282400      0.2906000     -1.1800000E-02
 C    1.690100      -1.111100      1.6700000E-02
 C    1.190200       1.631800      8.2099997E-02
 C    2.752800     -0.2080000      5.8499999E-02
 C    2.503400       1.160800      9.1200002E-02
 H  -0.5233000      -2.619500     -5.1899999E-02
 H   -3.311400      0.6358000     -1.4100000E-02
 H    1.883900      -2.181300     -1.7300000E-02
 H    1.083400       2.709000      5.7799999E-02
 H    3.316600       1.881300      0.1060000    
 H   -1.650500       3.068800      -2.164800    
 H   -4.008600      -1.750600       2.002200    
 H    4.822200     -4.5000002E-02  -1.999700    


%chk=000004438-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004438

0 1
S -1.787070 3.016072 0.025796
S -3.432179 -2.304618 -0.054211
S 4.501116 -0.777950 0.065241
O -1.228633 3.316198 -1.715461
O -3.673679 -2.311904 1.780927
O -3.396432 3.100132 0.119846
O -0.869494 3.909782 1.013291
O 4.717405 -0.684118 -1.772619
O -4.725369 -1.634437 -0.753219
O -2.862949 -3.739170 -0.531142
O 5.462404 0.319047 0.761441
O 4.523366 -2.325817 0.529224
C 0.101296 0.804096 0.033616
C 0.363216 -0.628972 0.021466
C -1.277303 1.192124 0.015096
C -2.020816 -1.069149 -0.004769
C -0.725818 -1.557903 0.006351
C -2.347157 0.309671 -0.003823
C 1.716193 -1.096884 0.020086
C 1.204373 1.720310 0.059162
C 2.730118 -0.155095 0.039098
C 2.516999 1.246760 0.059802
H -0.539820 -2.637697 -0.008917
H -3.385824 0.660399 -0.030324
H 1.939288 -2.169353 0.017203
H 1.018258 2.796561 0.089746
H 3.369795 1.931354 0.093292
H -1.453884 4.261554 -1.958803
H -4.487705 -2.857299 1.989471
H 5.662804 -0.935295 -1.988467