%chk=000178723.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178723

0 1
 S    2.167000       2.982700      2.2700001E-02
 O   0.5040000      -1.802400      5.0099999E-02
 O    1.220400       1.744100     -0.4592000    
 O  -0.9757000     -4.9999999E-03 -0.1041000    
 O    3.671300      0.7020000      0.8009000    
 O    4.159000      -2.022100     -3.4000002E-02
 O   0.7498000      -4.494200     -0.4497000    
 O    1.582700       4.258700     -0.8090000    
 O    1.893400       3.215100       1.428600    
 O    3.526100       2.742600     -0.4254000    
 C    2.776700     -4.7699999E-02 -2.2600001E-02
 C    2.889500      -1.519600      0.3748000    
 C    1.351500      0.4702000      0.1713000    
 C    1.782300      -2.346200     -0.2835000    
 C   0.3258000     -0.4787000     -0.4487000    
 C    1.802900      -3.796300      0.1896000    
 C   -1.988200     -0.8384000     -0.6464000    
 C   -3.331200     -0.2956000     -0.2547000    
 C   -3.928300     -0.7221000      0.9265000    
 C   -3.966600      0.6285000      -1.076300    
 C   -5.176900     -0.2179000       1.290500    
 C   -5.215200       1.132800     -0.7124000    
 C   -5.820300      0.7096000      0.4711000    
 H    3.101900      9.9699996E-02  -1.060200    
 H    2.838400      -1.606900       1.467000    
 H    1.136400      0.5990000       1.240200    
 H    1.886300      -2.344800      -1.377100    
 H   0.4128000     -0.4734000      -1.543900    
 H    1.642900      -3.867500       1.270600    
 H    2.745800      -4.290700     -6.0699999E-02
 H    4.564800      0.3449000      0.6598000    
 H    4.210500      -1.955700      -1.002800    
 H   -1.892800      -1.866500     -0.2764000    
 H   -1.901400     -0.8741000      -1.739800    
 H  -8.1799999E-02  -4.043300     -0.2239000    
 H   -3.435000      -1.442300       1.573300    
 H   -3.503500      0.9667000      -1.999100    
 H    1.440100       4.104200      -1.772300    
 H   -5.647900     -0.5469000       2.212200    
 H   -5.716100       1.855400      -1.350000    
 H   -6.792300       1.102500      0.7546000    


%chk=000178723-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178723

0 1
S 0.849912 3.089227 0.010983
O 0.720504 -1.865689 0.131806
O 1.655647 1.619293 -0.888841
O -0.676834 0.001935 -0.104044
O 4.096167 0.574903 0.318520
O 4.465055 -2.293229 -0.176722
O 0.806454 -4.729081 -0.198045
O -0.854439 2.650854 -0.277507
O 1.204414 2.978940 1.576023
O 1.191588 4.373947 -0.864225
C 3.096703 -0.248788 -0.341567
C 3.165083 -1.701997 0.193810
C 1.722434 0.397131 -0.079084
C 1.972743 -2.554424 -0.281168
C 0.585354 -0.555051 -0.519715
C 1.905904 -3.943051 0.360540
C -1.878651 -0.756460 -0.624087
C -3.123229 0.002454 -0.242079
C -3.899806 -0.410058 0.869877
C -3.522569 1.146154 -0.981819
C -5.062601 0.304129 1.233871
C -4.680996 1.863592 -0.615304
C -5.454428 1.442257 0.491182
H 3.264882 -0.276486 -1.445399
H 3.193415 -1.674094 1.297003
H 1.633036 0.624651 1.003098
H 1.978733 -2.660380 -1.391714
H 0.602273 -0.696437 -1.627496
H 1.810377 -3.829596 1.460632
H 2.825843 -4.505235 0.136832
H 4.967818 0.103329 0.255579
H 4.499900 -2.420466 -1.161426
H -1.846410 -1.759181 -0.168246
H -1.756924 -0.839285 -1.722899
H -0.035095 -4.236389 -0.018874
H -3.590792 -1.287120 1.451350
H -2.929262 1.479782 -1.841741
H -0.904569 1.623831 -0.129441
H -5.658176 -0.022387 2.093132
H -4.975884 2.750197 -1.186101
H -6.354476 1.998681 0.774907


