%chk=000125507.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125507

0 1
 S   -2.026800      -2.841900      0.8336000    
 O   0.6489000      0.5600000      0.1860000    
 O   -2.472200       2.182400     -0.8894000    
 O    2.066100     -0.4420000      -1.424300    
 O   -1.191900      -1.633300      0.1216000    
 O   -1.060200       2.601400      0.9643000    
 O   -3.136100     -0.5888000      -1.540000    
 O    2.493800       2.585100      0.6212000    
 O    4.783300       1.025300       1.347700    
 O    4.915300     -0.6845000     -0.8181000    
 O   -1.134400      -4.168200      0.5084000    
 O   -1.973800      -2.620100       2.266600    
 O   -3.306500      -2.990400      0.1659000    
 C  -0.6393000      0.6508000     -0.4151000    
 C   -1.605600     -0.2831000      0.3132000    
 C   -3.035700     -9.2699997E-02 -0.2030000    
 C    1.685200      0.7723000     -0.7716000    
 C   -1.143200       2.096600     -0.3678000    
 C    2.897400       1.424600     -9.9399999E-02
 C   -3.426600       1.391100     -0.1648000    
 C    3.577800      0.4452000      0.8567000    
 C    3.881300     -0.8799000      0.1498000    
 C    2.619800      -1.423800     -0.5347000    
 C   -4.794500       1.648200     -0.7870000    
 C    2.899400      -2.675900      -1.358600    
 C   -1.521400       3.941700       1.038800    
 H  -0.5911000      0.3087000      -1.459200    
 H   -1.562700     -7.0000000E-02   1.389000    
 H   -3.758500     -0.6426000      0.4066000    
 H    1.339900       1.466100      -1.547900    
 H  -0.5014000       2.720700      -1.000000    
 H    3.615400       1.744800     -0.8646000    
 H   -3.458200       1.732800      0.8769000    
 H    2.930900      0.2707000       1.725300    
 H    4.265500      -1.610000      0.8715000    
 H    1.867300      -1.675200      0.2231000    
 H   -5.572700       1.056700     -0.2954000    
 H   -5.055600       2.708500     -0.6973000    
 H   -4.797800       1.419300      -1.858200    
 H    1.967200      -3.058500      -1.789200    
 H    3.564000      -2.461600      -2.202400    
 H    3.346700      -3.463600     -0.7450000    
 H   -2.857100      -1.519700      -1.531400    
 H    3.286000       2.952500       1.049100    
 H    5.194500      0.3799000       1.947700    
 H    5.682500     -0.3109000     -0.3519000    
 H   -2.592400       4.012500      0.8299000    
 H  -0.9600000       4.584700      0.3536000    
 H   -1.353400       4.300700       2.058100    
 H  -0.8396000      -4.258300     -0.4281000    


%chk=000125507-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125507

0 1
S -1.243693 -2.986959 -0.858683
O 0.617243 0.728965 -0.235364
O -2.597632 2.579474 -0.112902
O 1.735208 -1.347536 -0.635319
O -1.310488 -1.185475 -1.462369
O -1.170857 1.726600 1.642367
O -3.335901 0.487255 -2.178966
O 2.525713 2.017142 -1.932137
O 4.788824 1.476212 -0.234150
O 4.704257 -1.275425 -0.051287
O 0.368449 -3.294789 -1.449152
O -1.312748 -2.946950 0.756389
O -2.280240 -3.859386 -1.705273
C -0.769494 1.013762 -0.625780
C -1.719579 -0.186174 -0.448914
C -3.184009 0.221545 -0.748100
C 1.441295 0.002363 -1.166532
C -1.249759 2.179930 0.263619
C 2.790164 0.720134 -1.323395
C -3.598757 1.481511 0.043312
C 3.469710 0.852507 0.045541
C 3.685823 -0.538977 0.692140
C 2.376923 -1.353970 0.727614
C -4.936193 2.062611 -0.409799
C 2.577811 -2.815476 1.122382
C -1.373960 2.812488 2.613139
H -0.805278 1.358881 -1.676492
H -1.615517 -0.600823 0.571767
H -3.850694 -0.613273 -0.436878
H 0.940174 -0.159913 -2.134400
H -0.629166 3.081429 0.098307
H 3.431719 0.091596 -1.975479
H -3.627728 1.199777 1.116415
H 2.853956 1.498753 0.698822
H 4.009057 -0.398570 1.749575
H 1.664523 -0.847015 1.406455
H -5.745841 1.325951 -0.260338
H -5.172046 2.969071 0.173167
H -4.891143 2.318801 -1.479446
H 1.611205 -3.343110 1.180100
H 3.239990 -3.321480 0.402495
H 3.055168 -2.862265 2.117335
H -2.933921 -0.284781 -2.658693
H 3.392254 2.495112 -1.994014
H 5.098463 1.984365 0.556395
H 5.395910 -0.608141 -0.311643
H -2.361412 3.291776 2.476677
H -0.579972 3.580165 2.513537
H -1.314802 2.342529 3.606551
H 0.996489 -2.481918 -1.108397


