%chk=000178788.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178788

0 1
 O   0.4468000      -1.293400      -2.935200    
 O    1.264800      -1.918500     -7.4199997E-02
 O    3.273500     -0.2149000      0.8806000    
 O   -2.538100     -0.1527000      -1.582500    
 O   -1.899600       1.783300      2.8700000E-02
 O   -3.526000     -0.9199000      0.8447000    
 O    4.044900       1.957800       1.028400    
 O   -2.515900       3.015200       1.883700    
 C   0.4402000      0.5649000      -1.185100    
 C    1.144900     -0.5105000      -1.979400    
 C  -0.5308000     -0.1540000     -0.1246000    
 C    2.053300      -1.183500      -1.016500    
 C    1.706400       1.167700     -0.4444000    
 C    1.479300     -0.4368000      -3.453300    
 C    2.764500      3.5799999E-02 -0.4125000    
 C   0.3284000      -1.165900      0.7193000    
 C   -1.693600     -0.9776000     -0.7881000    
 C  -0.2230000       1.651800      -2.033600    
 C   -1.155300      0.9074000      0.8274000    
 C   -2.568400      -1.766800      0.2110000    
 C  -0.4687000      -2.191200       1.483400    
 C   -1.769200      -2.459800       1.281700    
 C   -2.496900      -3.483300       2.105700    
 C    3.897300      0.8383000       1.499600    
 C   -2.544900       2.812800      0.6773000    
 C    4.383200      0.4283000       2.856800    
 C   -3.297300       3.665400     -0.2989000    
 H    2.762000      -1.878300      -1.477100    
 H    1.476800       1.578500      0.5394000    
 H    2.117400       1.995300      -1.038300    
 H    1.159400      0.3976000      -4.059600    
 H    2.387500     -0.9126000      -3.802500    
 H    3.597000      0.3158000      -1.073500    
 H   0.8956000     -0.6101000       1.474900    
 H   -1.259700      -1.726400      -1.456200    
 H   0.4817000       2.020700      -2.789500    
 H   -1.089300       1.306400      -2.597400    
 H  -0.4696000       2.551100      -1.466400    
 H  -0.3813000       1.469600       1.358400    
 H   -1.781200      0.4619000       1.604900    
 H   -3.142900      -2.511200     -0.3544000    
 H   7.3100001E-02  -2.734800       2.254500    
 H   -3.195300     -0.7278000      -2.010000    
 H   -1.844600      -3.956700       2.847200    
 H   -2.896100      -4.274000       1.462300    
 H   -3.329300      -3.019500       2.644500    
 H   -4.007000     -0.4474000      0.1442000    
 H    5.109400     -0.3825000       2.760100    
 H    3.536600      0.1160000       3.473200    
 H    4.871600       1.279300       3.340200    
 H   -4.013300       3.050800     -0.8504000    
 H   -2.596500       4.148000     -0.9843000    
 H   -3.848800       4.438600      0.2434000    


%chk=000178788-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178788

0 1
O 0.468847 -1.046597 -2.935314
O 1.368564 -1.578026 0.125430
O 3.179592 0.362167 1.102177
O -2.218355 -0.648786 -1.929994
O -2.617239 1.524993 0.131276
O -3.555418 -1.082741 0.579758
O 5.032660 -0.795327 0.288444
O -2.057704 3.712286 0.737833
C 0.336952 0.860074 -1.082724
C 1.138698 -0.175090 -1.904472
C -0.585135 0.031057 -0.068668
C 2.096679 -0.791676 -0.879293
C 1.541045 1.552199 -0.329361
C 1.522764 -0.040367 -3.345010
C 2.702085 0.520555 -0.292117
C 0.344409 -0.793221 0.901708
C -1.420728 -1.091728 -0.779790
C -0.433108 1.912109 -1.906635
C -1.417310 0.976613 0.831811
C -2.360207 -1.850935 0.175412
C -0.401673 -1.803694 1.743190
C -1.637917 -2.287994 1.444233
C -2.391129 -3.253729 2.327025
C 4.373944 -0.362398 1.259640
C -2.850641 2.902099 0.204123
C 4.703513 -0.535164 2.723442
C -4.174634 3.238996 -0.443855
H 2.846874 -1.482435 -1.289080
H 1.273277 1.882572 0.688086
H 1.843486 2.454700 -0.888561
H 1.143655 0.794204 -3.944463
H 2.458261 -0.494927 -3.694663
H 3.563385 0.824680 -0.913330
H 0.900587 -0.105501 1.569265
H -0.686754 -1.843852 -1.124332
H 0.210994 2.315372 -2.710201
H -1.355806 1.504603 -2.346955
H -0.705912 2.768525 -1.267599
H -0.815191 1.830916 1.189493
H -1.824843 0.420283 1.689654
H -2.710173 -2.751961 -0.374865
H 0.116672 -2.153326 2.644781
H -1.625707 -0.736949 -2.723788
H -1.846711 -3.475573 3.260709
H -2.578300 -4.208290 1.797029
H -3.381801 -2.831726 2.579363
H -3.702687 -0.375136 -0.102260
H 4.162257 -1.416836 3.113147
H 4.386390 0.342638 3.307828
H 5.783133 -0.709872 2.843432
H -5.002606 2.879825 0.193496
H -4.265585 2.732570 -1.419296
H -4.262452 4.328018 -0.567558


