%chk=000076387.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076387

0 1
 S   -4.533500       1.581400     -0.6669000    
 O   -1.447900      -2.118400     -0.2903000    
 O   -3.590400     -0.8226000      0.9651000    
 O   -5.070500       3.118000     -0.5641000    
 O   -5.256600      0.9036000      -1.727000    
 O   -3.082900       1.590200     -0.6216000    
 C    3.961700     -0.3800000     -0.6393000    
 C    3.598400       1.935100      0.7990000    
 C    4.120800       1.173900     -0.4640000    
 C    2.496100     -0.8504000     -0.5450000    
 C    4.918900      -1.131400      0.3097000    
 C    4.444900     -0.7243000      -2.078300    
 C    3.850200       3.444200      0.5573000    
 C    4.386300       1.551600       2.066800    
 C    2.099200       1.750300       1.062100    
 C    1.535800     -0.3196000      -1.406300    
 C    2.131100      -1.807300      0.4020000    
 C   0.2105000     -0.7456000      -1.320500    
 C   0.8056000      -2.233300      0.4877000    
 C  -0.1547000      -1.702500     -0.3734000    
 C   -1.915500      -2.532800      0.9925000    
 C   -3.396400      -2.225000       1.102400    
 C   -4.964800     -0.4755000       1.060300    
 C   -5.146400       1.020500      0.8918000    
 H    5.189700       1.410700     -0.5768000    
 H    3.642400       1.652200      -1.331700    
 H    4.969400      -2.199500      6.2700003E-02
 H    4.634600      -1.061300       1.360100    
 H    5.939900     -0.7401000      0.2249000    
 H    4.323100      -1.792800      -2.294900    
 H    3.901100     -0.1696000      -2.850800    
 H    5.507200     -0.4815000      -2.202500    
 H    3.303000       3.799100     -0.3235000    
 H    4.915000       3.646900      0.3945000    
 H    3.525000       4.048500       1.412000    
 H    4.069600      0.5845000       2.464500    
 H    5.464100       1.518500       1.875500    
 H    4.217200       2.279300       2.869700    
 H    1.504400       1.963100      0.1689000    
 H    1.758100       2.448000       1.837700    
 H    1.858900      0.7549000       1.438500    
 H    1.790200      0.4312000      -2.148400    
 H    2.837300      -2.258600       1.089400    
 H  -0.5342000     -0.3269000      -1.992100    
 H   0.5686000      -3.001000       1.218500    
 H   -1.407300      -1.983900       1.795900    
 H   -1.745200      -3.608300       1.109800    
 H   -3.940200      -2.738200      0.3008000    
 H   -3.777400      -2.561800       2.072900    
 H   -5.349700     -0.7771000       2.041300    
 H   -5.529200      -1.010900      0.2877000    
 H   -6.207400       1.280400      0.9507000    
 H   -4.593700       1.566200       1.663300    
 H   -4.606600       3.686300      9.4800003E-02


%chk=000076387-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076387

0 1
S -4.292292 0.649147 -1.289377
O -1.961256 -1.213611 0.246440
O -4.526433 -1.484855 1.822525
O -5.785998 1.771016 -1.420394
O -4.726280 -0.796712 -1.877545
O -3.009142 1.411718 -1.907674
C 3.709729 -0.204801 -0.603598
C 4.201280 1.948085 1.067065
C 4.085821 1.304903 -0.361782
C 2.214783 -0.491600 -0.313236
C 4.648515 -1.167047 0.167646
C 3.940951 -0.471055 -2.129472
C 4.178777 3.491151 0.851907
C 5.549641 1.596884 1.758953
C 3.025515 1.572360 2.006211
C 1.199686 0.301594 -0.921890
C 1.783524 -1.569490 0.495444
C -0.168953 0.045641 -0.728422
C 0.412326 -1.849873 0.708868
C -0.564923 -1.034498 0.096503
C -2.418643 -2.427237 0.940917
C -3.941662 -2.465980 0.881377
C -5.248318 -0.365350 1.229253
C -4.328022 0.720223 0.650073
H 5.061334 1.473665 -0.867101
H 3.352578 1.912048 -0.930695
H 4.501769 -2.210787 -0.168806
H 4.486885 -1.136079 1.259083
H 5.702809 -0.899565 -0.025781
H 3.636709 -1.500115 -2.394634
H 3.355849 0.226127 -2.756227
H 5.009960 -0.345795 -2.386848
H 3.209151 3.819135 0.431837
H 4.977693 3.808948 0.154420
H 4.332413 4.022822 1.810064
H 5.629305 0.526392 2.009347
H 6.407299 1.860880 1.110613
H 5.650857 2.168466 2.701563
H 2.049591 1.819371 1.550485
H 3.112076 2.131216 2.958310
H 3.014371 0.494847 2.246292
H 1.476231 1.137661 -1.574072
H 2.518797 -2.217727 0.981625
H -0.938146 0.652308 -1.218850
H 0.133264 -2.693159 1.347935
H -2.083543 -2.413775 1.997570
H -2.001547 -3.323683 0.436278
H -4.294223 -2.290914 -0.152777
H -4.282254 -3.461470 1.222867
H -5.803906 0.078949 2.073310
H -5.986927 -0.709729 0.476404
H -4.674443 1.751342 0.818781
H -3.272536 0.561914 0.919276
H -6.032239 1.844496 -2.386664


