%chk=000116198.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116198

0 1
 S   -1.861400      0.1119000      9.0499997E-02
 S   0.8817000      -3.192000     -0.6578000    
 S    4.605100      -1.008200      0.1373000    
 O   0.9233000       2.538700       1.619400    
 O   -4.028700       3.135900      -1.372600    
 O   -5.007100      -2.299300      0.6135000    
 O    5.368900       1.693700      -1.122400    
 C  -0.7990000      -1.027100     -0.7516000    
 C  -0.9234000       1.020000       1.286500    
 C   -2.569400       1.235200      -1.081100    
 C   -3.153900     -0.7807000      0.9082000    
 C  -0.1728000      -2.007500      0.2227000    
 C   0.2006000       1.805200      0.6389000    
 C   -3.491000       2.236200     -0.4119000    
 C   -3.991100      -1.578800     -7.2300002E-02
 C    2.326200      -2.132100     -0.8978000    
 C    3.157000      -2.081000      0.3764000    
 C    3.777800      0.5886000      0.3140000    
 C    4.757300       1.741400      0.1600000    
 H  -5.7500001E-02 -0.4238000      -1.281000    
 H   -1.408100      -1.537100      -1.504400    
 H   -1.605600       1.685300       1.823800    
 H  -0.5334000      0.3164000       2.027400    
 H   -1.754900       1.742800      -1.606000    
 H   -3.106700      0.6522000      -1.834700    
 H   -2.700100      -1.433700       1.659200    
 H   -3.772200     -6.3900001E-02   1.456400    
 H   0.3929000      -1.505000       1.009700    
 H  -0.9506000      -2.593400      0.7213000    
 H  -0.1863000       2.520100     -9.2600003E-02
 H   0.8964000       1.137700      0.1286000    
 H   -4.327800       1.734100      8.2000002E-02
 H   -2.956400       2.828400      0.3362000    
 H   -4.478100     -0.9240000     -0.8006000    
 H   -3.380000      -2.303800     -0.6172000    
 H    1.636500       3.009400       1.155300    
 H   -4.609000       3.751900     -0.8937000    
 H   -5.511800      -2.790100     -5.7399999E-02
 H    2.013200      -1.145100      -1.243200    
 H    2.916700      -2.578100      -1.706500    
 H    2.594800      -1.722300       1.243300    
 H    3.534300      -3.080100      0.6221000    
 H    3.025500      0.6722000     -0.4735000    
 H    3.288500      0.6462000       1.290700    
 H    5.539000       1.706100      0.9266000    
 H    4.227100       2.694900      0.2522000    
 H    5.975200       2.451900      -1.177500    


%chk=000116198-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116198

0 1
S -1.985008 0.356803 -1.046841
S 1.491143 -3.635787 -0.716850
S 5.021905 -1.073747 0.744351
O 1.201861 2.991910 -0.743482
O -4.868153 3.707215 0.234126
O -4.335851 -2.004084 1.308508
O 3.120711 1.253560 -0.038053
C -0.353170 -1.403312 -1.404338
C -0.612290 1.436074 -0.264653
C -3.514039 2.048750 -0.914429
C -2.682503 -0.515877 0.486571
C 0.051020 -2.277059 -0.275612
C 0.121675 2.238009 -1.356945
C -4.034524 2.482724 0.434647
C -3.856773 -1.393876 0.058462
C 2.953452 -2.436782 -0.737513
C 3.592463 -2.364023 0.651298
C 4.278209 0.244356 1.905285
C 3.967299 1.534769 1.131898
H 0.442526 -0.742271 -1.792172
H -0.873109 -1.919881 -2.227118
H -1.101755 2.106152 0.459163
H 0.069760 0.737035 0.244203
H -2.938685 2.842167 -1.420864
H -4.292740 1.646008 -1.582776
H -1.869017 -1.119494 0.908368
H -3.001901 0.257608 1.198636
H 0.493609 -1.739561 0.583926
H -0.743756 -2.953283 0.083944
H -0.554548 2.978475 -1.816660
H 0.486586 1.555635 -2.154657
H -4.658078 1.686671 0.897377
H -3.196302 2.721150 1.129257
H -4.648589 -0.778360 -0.416739
H -3.514574 -2.164579 -0.663256
H 1.964536 2.365406 -0.519908
H -5.206357 4.015882 1.117275
H -5.085112 -2.620714 1.112607
H 2.567869 -1.454581 -1.068020
H 3.664953 -2.802917 -1.495507
H 2.855875 -2.076799 1.420432
H 4.037949 -3.329886 0.937123
H 3.363302 -0.185997 2.345354
H 5.011467 0.429311 2.707811
H 4.902240 2.032413 0.807551
H 3.387642 2.236848 1.755247
H 3.580482 0.537239 -0.560628


