%chk=000127284.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127284

0 1
 S   0.6838000       2.056500       1.284700    
 S  -0.8911000       3.465900     -0.7814000    
 O    1.756500     -0.1189000      0.1638000    
 O    5.685700       1.035700      0.4978000    
 O    4.954100      -1.121500      -1.297300    
 O    3.558400       3.048500      0.5838000    
 O    2.438600      -2.832800      -1.819800    
 O    1.832800      -2.746500      0.3760000    
 O   -3.862800      0.8614000     -3.7000000E-02
 O   -1.878200      -1.305800      0.3211000    
 O   -2.673500       1.103100      -2.003400    
 O  -0.8326000     -0.2442000       2.087400    
 C    4.414500      0.9225000     -0.1444000    
 C    4.097900     -0.5647000     -0.3010000    
 C    3.351900       1.640900      0.6950000    
 C    2.651700     -0.7655000     -0.7326000    
 C    1.943200       1.295400      0.1972000    
 C    2.257900      -2.203600     -0.6329000    
 C  -0.6974000       2.021000      0.1976000    
 C   -1.558700      0.9770000      0.1350000    
 C   -2.736000      0.9986000     -0.7884000    
 C   -1.359400     -0.2375000      0.9859000    
 C   -5.091500      0.8399000     -0.7702000    
 C   -1.784500      -2.558900       1.005500    
 C   -6.194800       1.446500      8.3300002E-02
 C   -5.409100     -0.5921000      -1.173100    
 C   -1.643700      -3.677800     -1.5300000E-02
 C   -3.013500      -2.743300       1.882700    
 H    4.525300       1.402700      -1.123900    
 H    4.305900      -1.094900      0.6365000    
 H    3.476800       1.366000       1.749700    
 H    2.458000     -0.4118000      -1.753200    
 H    1.799800       1.702100     -0.8119000    
 H    5.615300      0.6346000       1.380900    
 H    4.776500     -0.6647000      -2.137200    
 H    3.439200       3.297900     -0.3485000    
 H    2.185100      -3.779300      -1.774700    
 H   -2.125100       3.269300      -1.264100    
 H   -5.009400       1.457700      -1.673600    
 H  -0.8862000      -2.585100       1.635400    
 H   -6.316500      0.8886000       1.018300    
 H   -7.151600       1.455600     -0.4474000    
 H   -5.938800       2.474400      0.3619000    
 H   -5.485000      -1.237200     -0.2909000    
 H   -6.349800     -0.6489000      -1.729300    
 H   -4.611900      -1.008400      -1.797900    
 H   -2.510000      -3.704800     -0.6854000    
 H   -1.546500      -4.652900      0.4715000    
 H  -0.7652000      -3.511500     -0.6473000    
 H   -3.929600      -2.705400       1.283200    
 H   -2.982500      -3.699800       2.413500    
 H   -3.089400      -1.939600       2.622600    


%chk=000127284-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127284

0 1
S 0.875766 -0.040362 0.792544
S -0.070326 2.033321 -1.335354
O 3.053817 -1.065749 -0.343840
O 5.524551 2.342143 -0.371971
O 6.259634 -0.002521 -1.932845
O 2.739433 2.667264 0.238860
O 4.526718 -3.232097 -2.293596
O 5.467719 -2.896003 -0.193215
O -4.134006 0.801082 0.333865
O -2.691075 -1.681457 0.744540
O -2.956310 2.078913 -1.167575
O -1.599304 -0.582181 2.492437
C 4.526779 1.373736 -0.822970
C 5.230081 0.012917 -0.894076
C 3.324403 1.328701 0.145895
C 4.206933 -1.071944 -1.285078
C 2.364671 0.231614 -0.352837
C 4.811496 -2.469205 -1.162092
C -0.454330 0.831953 -0.101670
C -1.780161 0.472498 0.281987
C -2.941675 1.126024 -0.216166
C -2.008220 -0.613642 1.307721
C -5.421081 1.384635 -0.240633
C -3.014801 -2.844838 1.659549
C -6.427773 1.268208 0.902716
C -5.792453 0.591161 -1.498784
C -3.124923 -4.058959 0.736629
C -4.300021 -2.517048 2.431900
H 4.159538 1.650366 -1.837817
H 5.660931 -0.224959 0.099976
H 3.678356 1.075605 1.161999
H 3.857468 -0.906431 -2.322687
H 1.960811 0.471313 -1.358568
H 5.039025 3.178360 -0.144311
H 6.888785 0.738332 -1.737163
H 1.925894 2.731224 -0.342400
H 4.935484 -4.135529 -2.197611
H -1.968026 2.285242 -1.480898
H -5.208187 2.439183 -0.490240
H -2.164663 -2.944687 2.359608
H -6.582638 0.211096 1.180265
H -7.396899 1.692871 0.585357
H -6.080740 1.817938 1.793486
H -5.914904 -0.479412 -1.259724
H -6.748768 0.970520 -1.902254
H -5.024285 0.699597 -2.282091
H -3.945369 -3.926882 0.009354
H -3.330832 -4.965262 1.334426
H -2.185637 -4.214529 0.179636
H -5.137448 -2.341488 1.733176
H -4.565851 -3.364525 3.089895
H -4.162986 -1.621704 3.060846


