%chk=000130459.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130459

0 1
 S    5.143800      -1.598600      1.5400000E-02
 O  -0.4240000       2.617100      -1.974700    
 O   -2.922400       1.718600      -1.880900    
 O   -3.292100     -0.2557000       2.387100    
 O   -5.388400     -0.8446000       1.778300    
 O    5.906200      -1.361800      -1.202300    
 O    5.840300      -1.754900       1.285100    
 N   -2.505300      0.3132000     -8.1100002E-02
 N   -1.328600       3.459700      0.6350000    
 C   -4.037200      -1.451800     -0.8858000    
 C  -0.3953000       2.341200      0.4408000    
 C   -3.832500     -0.2343000      2.8400000E-02
 C   -2.961700      -2.561500     -0.8557000    
 C  -0.6981000       1.696800     -0.9286000    
 C    1.065700       2.833000      0.5524000    
 C   -2.155600       1.256100      -1.038600    
 C    2.085200       1.726100      0.4178000    
 C   -3.219700      -3.698200      -1.842000    
 C   -2.864000      -3.131400      0.5646000    
 C   -4.255400     -0.4947000       1.465500    
 C    2.522400       1.039400       1.550600    
 C    2.588300       1.389900     -0.8389000    
 C    3.965800     -0.3194000      0.1698000    
 C    3.462600      1.6700000E-02   1.426700    
 C    3.528600      0.3671000     -0.9630000    
 C    4.171100      -3.068000     -0.2261000    
 H   -5.019500      -1.899500     -0.6846000    
 H   -4.085600      -1.084200      -1.920400    
 H  -0.5745000       1.615500       1.243200    
 H   -4.521600      0.5510000     -0.3120000    
 H   -1.990300      -2.123400      -1.116600    
 H  -8.7899998E-02  0.8033000      -1.094300    
 H    1.273000       3.608200     -0.1977000    
 H    1.212900       3.328400       1.522200    
 H   -1.792700     -4.5899998E-02  0.5470000    
 H   -2.414600      -4.439900      -1.808100    
 H   -3.277400      -3.313000      -2.865400    
 H   -4.163100      -4.208100      -1.619700    
 H   -2.404600      -2.419000       1.253200    
 H   -2.224600      -4.021600      0.5778000    
 H   -3.845200      -3.424400      0.9526000    
 H   -2.282300       3.108700      0.7095000    
 H   -1.128000       3.918700       1.522800    
 H    2.134600       1.289800       2.534500    
 H    2.264700       1.920400      -1.729900    
 H  -0.9162000       3.434800      -1.787600    
 H    3.784000     -0.5095000       2.321100    
 H    3.903100      0.1190000      -1.952100    
 H   -3.611600     -0.4132000       3.301100    
 H    4.854700      -3.912700     -0.3353000    
 H    3.530700      -3.217500      0.6452000    
 H    3.573600      -2.953300      -1.132400    


%chk=000130459-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130459

0 1
S 6.209858 0.417774 2.190956
O -0.253642 -0.584430 -2.046289
O -1.490201 -0.136781 1.389319
O -2.529338 -4.090869 -1.133583
O -4.186643 -4.491931 0.443638
O 7.242454 -0.380022 1.202051
O 6.648890 1.752595 3.031142
N -1.999486 -1.645769 -0.320442
N -1.171327 1.868751 -1.585289
C -4.408273 -1.440881 0.442312
C -0.072566 1.440139 -0.671401
C -3.092123 -2.288472 0.414867
C -4.923114 -0.917080 -0.922506
C -0.116538 -0.117041 -0.666227
C 1.271058 1.978152 -1.239057
C -1.270044 -0.626107 0.232646
C 2.478652 1.596492 -0.399976
C -6.095706 0.064694 -0.679344
C -5.358347 -2.045286 -1.889565
C -3.348477 -3.715049 -0.057409
C 2.795638 2.322783 0.778451
C 3.306579 0.508093 -0.783098
C 4.679205 0.870695 1.164430
C 3.906394 1.968335 1.574879
C 4.424185 0.135339 -0.003028
C 5.573052 -0.858230 3.471739
H -5.189632 -2.053668 0.932448
H -4.200582 -0.578222 1.102367
H -0.210184 1.790870 0.370596
H -2.776040 -2.371970 1.475911
H -4.097023 -0.351508 -1.404487
H 0.827973 -0.523432 -0.263870
H 1.385676 1.593632 -2.269724
H 1.195002 3.082409 -1.298526
H -1.711238 -1.980262 -1.247562
H -6.447126 0.505149 -1.630719
H -5.799644 0.891523 -0.006736
H -6.953679 -0.457211 -0.213834
H -4.510193 -2.681258 -2.201420
H -5.800954 -1.617322 -2.808235
H -6.119370 -2.695241 -1.417688
H -2.097136 1.861260 -1.140559
H -0.996308 2.759787 -2.062015
H 2.176757 3.179307 1.070833
H 3.079274 -0.043552 -1.702687
H -0.785520 0.173961 -2.465093
H 4.188544 2.540969 2.464924
H 5.096603 -0.675214 -0.303909
H -2.728434 -5.031524 -1.389930
H 6.458985 -1.123859 4.065281
H 4.804951 -0.354327 4.074012
H 5.180459 -1.713592 2.905308


