%chk=000156345.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156345

0 1
 S  -0.8950000     -0.5884000      -2.252700    
 S    3.338500      0.4185000     -0.2175000    
 S   -4.189800       2.474700       1.332900    
 O   -3.669500      -2.972900     -0.6153000    
 O   -2.065000      -2.113600       1.980900    
 O   0.9155000      -3.200100       1.969500    
 O   -4.534500     -0.6185000       1.353300    
 O    1.669300      -1.055500       2.219800    
 O   -2.815000       4.401500      -1.499400    
 O   -1.762000       5.082400      0.3910000    
 N  -0.7363000      -1.911800      4.3600000E-02
 N   -3.319400     -0.5632000     -0.6230000    
 N    5.929300       1.322000      0.1383000    
 N    5.836900     -0.7547000     -0.4795000    
 N  -0.3724000       2.535400     -0.1070000    
 N    7.205600      0.9194000      6.3800000E-02
 N    7.142800     -0.3516000     -0.3142000    
 C   -2.717700      -1.897200     -0.4929000    
 C   -1.379000      -2.014700      -1.253900    
 C   -1.853500      -2.028600      0.7937000    
 C   0.6011000      -1.748400      0.2126000    
 C    1.403300      -1.376600     -0.8134000    
 C   0.8790000      -1.013700      -2.200900    
 C    2.905600      -1.253300     -0.7260000    
 C   -4.186600     -3.7000000E-02  0.3268000    
 C    1.128600      -1.930000       1.573100    
 C   -4.178000      -3.191900      -1.922400    
 C   -4.666200       1.355600     -5.4000001E-03
 C    5.103100      0.2962000     -0.1940000    
 C   -2.397500       2.249300       1.247600    
 C   -1.825800       2.713600     -9.3199998E-02
 C   -2.108900       4.179800     -0.3621000    
 C    5.613600       2.673500      0.5262000    
 H   -1.206600      -2.987500      -1.729500    
 H   -3.115700     -3.8000001E-03  -1.447300    
 H    1.063000      -1.847800      -2.887000    
 H    1.409700     -0.1394000      -2.591600    
 H    3.364800      -1.491700      -1.692400    
 H    3.309600      -1.972000     -4.1000000E-03
 H   -4.928600      -3.985100      -1.870800    
 H   -3.380000      -3.512700      -2.597300    
 H   -4.654800      -2.286600      -2.308900    
 H   -4.318700       1.711900     -0.9772000    
 H   -5.759700       1.322700     -5.6699999E-02
 H    1.253200      -3.365800       2.875600    
 H   -1.970200       2.844900       2.063400    
 H   -2.133400       1.208000       1.459500    
 H   -2.220300       2.122100     -0.9222000    
 H  -9.3000000E-03   2.754400      -1.034200    
 H  -0.1471000       1.555200      6.0100000E-02
 H    6.538400       3.223400      0.7199000    
 H    5.007300       2.641800       1.434600    
 H    5.065800       3.150600     -0.2901000    
 H   -2.996600       5.355600      -1.637400    


%chk=000156345-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000156345

0 1
S -0.237236 -1.353653 -2.464016
S 3.376711 0.295411 0.819835
S -3.415091 3.180498 -0.174342
O -3.671709 -2.720201 -0.641931
O -2.209261 -1.143997 1.843578
O -0.031043 -2.941533 2.691086
O -4.873808 0.103748 -0.133751
O 1.849399 -1.577509 2.726413
O -0.403881 2.816613 -1.392193
O 0.946907 3.357442 0.413195
N -0.691861 -2.118691 0.204479
N -2.910559 -0.473863 -1.288613
N 4.007297 2.469803 -0.822114
N 3.600238 0.620256 -1.995923
N -0.275353 1.302009 1.917585
N 4.148074 2.811368 -2.187888
N 3.901492 1.683194 -2.875873
C -2.619617 -1.767229 -0.676460
C -1.203271 -2.342382 -1.166859
C -1.918158 -1.622621 0.738770
C 0.647735 -1.977199 0.622556
C 1.671242 -1.743169 -0.277852
C 1.490101 -1.734813 -1.782039
C 3.093665 -1.509095 0.163317
C -3.914752 0.424973 -0.881877
C 0.899811 -2.101695 2.090363
C -4.538896 -2.777261 -1.835678
C -3.717663 1.825343 -1.471956
C 3.672096 1.140840 -0.736609
C -2.312483 2.348362 1.109471
C -0.928902 1.745512 0.692139
C -0.031495 2.729051 -0.048706
C 4.157044 3.479998 0.231189
H -1.238865 -3.403273 -1.454438
H -2.160854 -0.098541 -1.884788
H 1.789610 -2.715120 -2.197790
H 2.149792 -0.961919 -2.224894
H 3.807538 -1.631188 -0.665087
H 3.396417 -2.104506 1.035740
H -5.172412 -3.661302 -1.672193
H -3.949684 -2.900010 -2.765790
H -5.166626 -1.872189 -1.894085
H -2.889110 1.865569 -2.197721
H -4.654628 2.145967 -1.956301
H 0.115328 -2.960993 3.675073
H -2.137167 3.141755 1.855147
H -2.895025 1.540682 1.585822
H -1.123018 0.930790 -0.042101
H 0.745022 1.293299 1.939841
H -0.755736 0.562928 2.433009
H 4.577724 4.383576 -0.232865
H 4.845027 3.112821 1.011324
H 3.170966 3.708207 0.668179
H 0.159826 3.492331 -1.858676


