%chk=000008970.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008970

0 1
 O   0.4035000      0.9417000      -1.306300    
 O   0.4153000     -0.9412000       1.302600    
 O   0.8415000      -1.167000      -2.119200    
 O   0.8427000       1.167100       2.121900    
 C   -2.528100       3.800200      0.1096000    
 C   -2.524300      -3.801700     -0.1072000    
 C   -1.805200       2.481200     -0.2205000    
 C   -1.802400      -2.482300      0.2233000    
 C   -1.531900       2.293500      -1.713400    
 C   -1.527400      -2.295600       1.716000    
 C   -3.889500       3.908400     -0.5790000    
 C   -2.705100       3.929800       1.624600    
 C   -3.884800      -3.912000      0.5831000    
 C   -2.702900      -3.930200      -1.622000    
 C  -0.8407000      0.9652000      -1.992500    
 C  -0.8373000     -0.9668000       1.995400    
 C    2.417400     -8.8299997E-02 -0.6916000    
 C    2.418100      9.1200002E-02  0.6917000    
 C    1.148300     -0.1886000      -1.455800    
 C    1.173400      0.1877000       1.443100    
 C    3.625100     -0.1777000      -1.383900    
 C    3.626600      0.1812000       1.382600    
 C    4.833500     -8.7499999E-02 -0.6928000    
 C    4.834200      9.2000000E-02  0.6903000    
 H   -1.904700       4.637000     -0.2300000    
 H   -1.899600      -4.638100      0.2310000    
 H  -0.8571000       2.457900      0.3294000    
 H   -2.403700       1.637100      0.1450000    
 H  -0.8549000      -2.457700     -0.3275000    
 H   -2.402100      -1.638400     -0.1407000    
 H   -2.463100       2.318800      -2.287300    
 H  -0.8979000       3.116900      -2.063500    
 H   -2.457800      -2.322600       2.291300    
 H  -0.8916000      -3.118300       2.064300    
 H   -4.518300       3.039900     -0.3557000    
 H   -3.784600       3.986800      -1.665100    
 H   -4.422800       4.805200     -0.2449000    
 H   -3.330700       3.123400       2.022400    
 H   -3.177200       4.884000       1.881800    
 H   -1.736400       3.890100       2.134200    
 H   -4.514700      -3.044000      0.3613000    
 H   -3.778400      -3.991200       1.668900    
 H   -4.417500      -4.809100      0.2488000    
 H   -3.329900      -3.124200      -2.018300    
 H   -3.174300      -4.884700      -1.879400    
 H   -1.734900      -3.889000      -2.132700    
 H  -0.6656000      0.8652000      -3.069900    
 H   -1.468000      0.1329000      -1.654500    
 H  -0.6561000     -0.8662000       3.071400    
 H   -1.461600     -0.1330000       1.656400    
 H    3.638200     -0.3163000      -2.461900    
 H    3.641500      0.3195000       2.460700    
 H    5.773900     -0.1568000      -1.231800    
 H    5.775200      0.1618000       1.228300    


%chk=000008970-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000008970

0 1
O 0.434565 0.786879 -1.228168
O 0.438554 -0.787010 1.229205
O 1.111796 -1.083379 -2.448655
O 1.111492 1.088677 2.443611
C -2.611449 3.648566 0.139326
C -2.605972 -3.651517 -0.135551
C -1.965649 2.288067 -0.235777
C -1.961370 -2.290268 0.238890
C -1.507503 2.179405 -1.707330
C -1.502040 -2.180963 1.710008
C -3.914685 3.921362 -0.650233
C -2.876979 3.708495 1.662620
C -3.908206 -3.925728 0.655159
C -2.872770 -3.711840 -1.658611
C -0.820447 0.854675 -2.040139
C -0.815931 -0.855553 2.041998
C 2.551252 -0.172915 -0.691659
C 2.551779 0.177273 0.687671
C 1.309008 -0.254941 -1.526743
C 1.310108 0.258240 1.523934
C 3.783024 -0.381666 -1.358799
C 3.783945 0.387256 1.353617
C 5.006709 -0.199397 -0.680450
C 5.007167 0.206140 0.674078
H -1.881315 4.447738 -0.112673
H -1.874721 -4.449853 0.115863
H -1.088586 2.120003 0.418656
H -2.693431 1.475084 -0.018092
H -1.085079 -2.121244 -0.416335
H -2.690255 -1.478115 0.021793
H -2.376146 2.274756 -2.388712
H -0.817585 3.012275 -1.947009
H -2.369989 -2.277028 2.392170
H -0.811129 -3.013149 1.949222
H -4.656399 3.119500 -0.465359
H -3.739049 3.977972 -1.739965
H -4.369892 4.879111 -0.336679
H -3.605781 2.929982 1.962845
H -3.293869 4.689259 1.958325
H -1.947578 3.543346 2.238528
H -4.650955 -3.124671 0.470955
H -3.731539 -3.982160 1.744735
H -4.362649 -4.883970 0.342003
H -3.602813 -2.934251 -1.958223
H -3.288690 -4.693133 -1.953917
H -1.944090 -3.545540 -2.235354
H -0.543237 0.777502 -3.107169
H -1.443662 -0.019885 -1.776091
H -0.538042 -0.777958 3.108828
H -1.439997 0.018449 1.778130
H 3.764028 -0.671891 -2.414125
H 3.765770 0.677521 2.408943
H 5.952381 -0.358991 -1.208994
H 5.953200 0.366686 1.201695


