%chk=000097446.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097446

0 1
 S    3.952400       1.273900       1.048200    
 S   -3.952400       1.273800      -1.048400    
 O    1.139500      -1.998700      0.2858000    
 O   -1.139500      -1.998700     -0.2860000    
 O    2.894700      0.2520000      0.3340000    
 O   -2.894700      0.2520000     -0.3343000    
 O    3.672000       2.613300      0.5663000    
 O    4.013500      0.9768000       2.466100    
 O   -3.672000       2.613200     -0.5665000    
 O   -4.013600      0.9767000      -2.466100    
 C   0.7468000     -0.6857000     -0.1294000    
 C  -0.7468000     -0.6855000      0.1291000    
 C  -9.9999997E-05  -2.826300       0.000000    
 C    1.515900      0.3601000      0.6524000    
 C   -1.515900      0.3600000     -0.6527000    
 C  -0.2953000      -3.685400       1.222800    
 C   0.2949000      -3.685600      -1.222600    
 C    5.520000      0.8050000      0.3862000    
 C   -5.520000      0.8051000     -0.3861000    
 C    5.975100       1.410400     -0.7739000    
 C   -5.975000       1.410400      0.7740000    
 C    6.269800     -0.1605000       1.037800    
 C   -6.269800     -0.1606000      -1.037700    
 C    7.214200       1.039800      -1.296700    
 C   -7.213900       1.039900       1.296900    
 C    7.508800     -0.5310000      0.5151000    
 C   -7.508800     -0.5309000     -0.5149000    
 C    7.980900      6.9200002E-02 -0.6523000    
 C   -7.980800      6.9300003E-02  0.6525000    
 C    9.306200     -0.3260000      -1.210300    
 C   -9.306100     -0.3259000       1.210700    
 H   0.9765000     -0.6121000      -1.200200    
 H  -0.9764000     -0.6119000       1.199900    
 H    1.396200      0.1971000       1.729500    
 H    1.165900       1.366300      0.4010000    
 H   -1.396400      0.1971000      -1.729700    
 H   -1.165900       1.366400     -0.4015000    
 H  -0.4994000      -3.054800       2.095700    
 H   0.5589000      -4.321500       1.477500    
 H   -1.178200      -4.313300       1.064000    
 H   0.4991000      -3.055200      -2.095700    
 H  -0.5593000      -4.321700      -1.477200    
 H    1.177800      -4.313600      -1.063700    
 H    5.390100       2.161800      -1.295200    
 H   -5.390300       2.162500       1.294800    
 H    5.917200     -0.6470000       1.942100    
 H   -5.917600     -0.6465000      -1.942400    
 H    7.569700       1.512200      -2.208600    
 H   -7.571100       1.515000       2.206800    
 H    8.095600      -1.291100       1.024200    
 H   -8.097200      -1.288400      -1.026000    
 H    9.185900      -1.159300      -1.909600    
 H    9.778100      0.5098000      -1.738100    
 H    9.994500     -0.6317000     -0.4150000    
 H   -9.321800     -0.2248000       2.301200    
 H   -10.09470      0.3048000      0.7886000    
 H   -9.534400      -1.372800      0.9831000    


%chk=000097446-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097446

0 1
S 3.459706 0.512545 1.980318
S -3.246851 0.887433 -1.919431
O 1.190024 -3.332068 0.011431
O -1.076980 -3.231146 -0.605605
O 2.786832 -0.930050 0.962639
O -2.626756 -0.722869 -1.159508
O 2.338539 1.688163 1.909528
O 3.988179 -0.033639 3.407900
O -2.164791 2.032754 -1.518862
O -3.644300 0.642917 -3.468106
C 0.850920 -1.901013 -0.093941
C -0.710635 -1.855992 -0.229808
C -0.079793 -4.122008 0.026820
C 1.331707 -1.101635 1.123475
C -1.169128 -0.895844 -1.323705
C -0.471122 -4.455571 1.476325
C 0.099668 -5.343251 -0.866721
C 4.909255 0.924645 0.874762
C -4.791509 1.047298 -0.880973
C 4.700223 1.827809 -0.180437
C -4.692736 1.698826 0.359102
C 6.146811 0.329178 1.159960
C -5.986818 0.523610 -1.395847
C 5.807799 2.144250 -0.994083
C -5.872955 1.828682 1.120711
C 7.237364 0.663083 0.326126
C -7.151679 0.666302 -0.609987
C 7.084658 1.564046 -0.760066
C -7.113346 1.316245 0.651784
C 8.255754 1.897896 -1.664766
C -8.375896 1.488203 1.475040
H 1.349635 -1.510769 -1.001737
H -1.188733 -1.577511 0.732457
H 1.106799 -1.649545 2.057589
H 0.843637 -0.103216 1.139541
H -0.939465 -1.324469 -2.316517
H -0.666830 0.086587 -1.200115
H -0.636081 -3.539121 2.069268
H 0.334376 -5.036943 1.956535
H -1.400785 -5.050244 1.489960
H 0.380961 -5.021078 -1.881626
H -0.839809 -5.919524 -0.918267
H 0.895333 -5.991685 -0.462980
H 3.717283 2.280661 -0.343935
H -3.735990 2.101881 0.705609
H 6.256602 -0.354731 2.007237
H -6.006418 0.033632 -2.374243
H 5.678677 2.850451 -1.822143
H -5.829510 2.333136 2.092626
H 8.217604 0.215768 0.524078
H -8.100487 0.265265 -0.983113
H 8.156287 1.385439 -2.640772
H 8.310279 2.981685 -1.871207
H 9.215848 1.584783 -1.221421
H -8.178108 1.351246 2.552703
H -8.791950 2.506029 1.346495
H -9.158496 0.770875 1.175403


