%chk=000131394.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131394

0 1
 S    3.099300      -1.774000     -0.1088000    
 O  -0.8788000      0.8986000      0.5573000    
 O    1.287500       2.709600       1.425000    
 O   -2.978200      0.9076000     -0.4629000    
 O    3.260400     -0.2284000      0.3841000    
 O    1.981200       1.141600      -1.696400    
 O   -1.088100      -1.911900      0.9119000    
 O   -3.821900      -2.843900       1.067200    
 O   0.9810000       3.775500     -0.6803000    
 O   -5.131000     -0.3980000      0.8860000    
 O    4.643900      -2.190400     -0.4462000    
 O    2.350800      -1.776700      -1.352300    
 O    2.656900      -2.566800       1.023700    
 C   1.6899999E-02   1.547600     -0.3439000    
 C    1.214800      0.6335000     -0.6091000    
 C    2.086300      0.5295000      0.6452000    
 C   -1.839100      0.1096000     -0.1444000    
 C   -2.227600      -1.066400      0.7544000    
 C    2.447500       1.893700       1.246000    
 C   -3.368100      -1.870400      0.1308000    
 C   0.4381000       2.881900      0.2862000    
 C   -4.523300     -0.9568000     -0.2804000    
 C   -3.996100      0.1804000      -1.162200    
 C    3.574100       2.654300      0.5485000    
 C   -5.087600       1.174800      -1.540400    
 C    4.900800      -3.454500      -1.038800    
 H  -0.4912000       1.783800      -1.289600    
 H   0.8129000     -0.3362000     -0.8962000    
 H    1.504700     -4.1999999E-03   1.409200    
 H   -1.404000     -0.2822000      -1.074100    
 H   -2.505000     -0.7220000       1.758000    
 H    2.824800       1.700600       2.258900    
 H   -3.001600      -2.418000     -0.7465000    
 H  -0.4677000       3.364500      0.6730000    
 H   -5.297700      -1.535000     -0.7955000    
 H   -3.564500     -0.2281000      -2.084900    
 H    3.342800       2.883500     -0.4939000    
 H    3.743500       3.614900       1.047500    
 H    4.509500       2.086700      0.5705000    
 H   -5.913800      0.6792000      -2.058800    
 H   -5.481600       1.695000     -0.6607000    
 H   -4.679300       1.949400      -2.198900    
 H    1.396800       1.187300      -2.472200    
 H  -0.3820000      -1.376300       1.311500    
 H   -3.055600      -3.388800       1.315500    
 H   0.7767000       4.679000     -0.3853000    
 H   -4.510400      0.2387000       1.278700    
 H    4.520600      -4.256400     -0.3997000    
 H    5.981500      -3.573100      -1.150600    
 H    4.435100      -3.510000      -2.026700    


%chk=000131394-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131394

0 1
S 2.979641 -2.222226 -0.471710
O -0.724033 0.493594 -0.042996
O 1.299537 2.359212 1.146242
O -3.014683 0.936531 -0.129166
O 3.292366 -0.372832 -0.485722
O 1.988832 1.730191 -2.306182
O -1.319471 -2.373207 -0.796943
O -3.867596 -3.199539 0.189132
O 0.872658 3.721796 -0.814584
O -4.592901 -0.679476 1.606237
O 3.803644 -2.714555 1.104262
O 3.755796 -2.851274 -1.722655
O 1.418378 -2.496202 -0.184377
C -0.005324 1.503395 -0.834494
C 1.290276 0.845103 -1.383579
C 2.089296 0.404750 -0.134630
C -1.959551 0.014027 -0.597088
C -2.171664 -1.425637 -0.083200
C 2.529011 1.564419 0.798816
C -3.614032 -1.885071 -0.377177
C 0.353029 2.679281 0.100487
C -4.645299 -0.865698 0.154819
C -4.381397 0.489141 -0.559206
C 3.690606 2.439411 0.307058
C -5.350145 1.602493 -0.171434
C 5.275243 -2.844891 0.983888
H -0.629984 1.887027 -1.661516
H 1.023862 -0.054098 -1.968226
H 1.395756 -0.231018 0.452768
H -1.934334 0.019062 -1.712405
H -1.980550 -1.450962 1.009202
H 2.799376 1.129280 1.776653
H -3.720181 -1.923793 -1.487986
H -0.536245 3.038939 0.645269
H -5.662864 -1.238414 -0.051875
H -4.375984 0.342427 -1.661903
H 3.514812 2.865625 -0.690743
H 3.868290 3.251634 1.033312
H 4.603579 1.819954 0.246183
H -6.364353 1.367733 -0.541477
H -5.401066 1.706821 0.925152
H -5.029464 2.562213 -0.610474
H 1.805871 2.673076 -2.021439
H -0.372124 -2.347591 -0.481805
H -3.107110 -3.776454 -0.087530
H 1.147627 4.512132 -0.284837
H -3.808634 -0.097670 1.797862
H 5.553356 -3.502821 0.142343
H 5.556137 -3.317378 1.940227
H 5.756211 -1.856162 0.886848


