%chk=000005839.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005839

0 1
 O  -5.4000001E-02   1.505800      -1.872800    
 O   -1.866200      -1.090800      -2.062900    
 O   -5.087200     -0.3706000     -0.2283000    
 O    5.815200      0.8319000       1.780800    
 O   -5.985800       2.057500      0.4902000    
 C  -0.8783000      -1.066300      0.5933000    
 C   0.4238000      -1.094100     -0.2181000    
 C   -1.863400      7.9999998E-04  9.8700002E-02
 C    1.119500      0.3111000     -8.2999997E-02
 C    2.532700      0.3282000     -0.7829000    
 C   0.1531000       1.470500     -0.4659000    
 C   -1.216700       1.383900      0.2491000    
 C   -3.063200     -0.2739000       1.024000    
 C   -1.730800      -2.327900      0.6823000    
 C    1.338300      -2.241000      0.2593000    
 C   -3.101400      -1.812300       1.153200    
 C    3.319900     -0.8217000     -0.1415000    
 C    2.736100      -2.194800     -0.3563000    
 C    3.295200       1.669200     -0.5886000    
 C   -2.290000     -0.1901000      -1.346300    
 C    2.460900      0.1126000      -2.316100    
 C   -4.366500      0.2767000      0.5298000    
 C    3.873400       1.844100      0.8038000    
 C    4.377800     -0.6613000      0.6705000    
 C    4.793600      0.6905000       1.112600    
 C   -4.736200       1.662200       1.015000    
 H  -0.5978000     -0.8195000       1.631300    
 H   0.2223000      -1.287200      -1.272300    
 H    1.305600      0.4470000      0.9947000    
 H   0.6063000       2.427300     -0.1862000    
 H   -1.069800       1.609900       1.312900    
 H   -1.879100       2.156000     -0.1590000    
 H   -2.876400      0.1374000       2.025300    
 H   -1.317100      -3.051100       1.392800    
 H   -1.821600      -2.836500     -0.2829000    
 H   0.8791000      -3.207800      2.0300001E-02
 H    1.431300      -2.202000       1.353200    
 H   -3.896000      -2.294800      0.5750000    
 H   -3.267200      -2.087400       2.201800    
 H    2.697600      -2.436600      -1.423800    
 H    3.354800      -2.972400      0.1082000    
 H    2.663500       2.527400     -0.8391000    
 H    4.134900       1.710300      -1.298900    
 H   -2.995600      0.5559000      -1.751300    
 H    2.132300       1.018400      -2.836400    
 H    3.450600     -0.1347000      -2.721300    
 H    1.786700     -0.6953000      -2.611200    
 H    3.094400       1.896400       1.570400    
 H    4.454300       2.772200      0.8408000    
 H    4.897600      -1.503800       1.113700    
 H  -0.6133000       2.276200      -2.070300    
 H   -3.986400       2.381300      0.6817000    
 H   -4.792300       1.669100       2.107100    
 H   -6.660400       1.463700      0.8617000    


%chk=000005839-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005839

0 1
O 0.006928 1.296992 -2.090686
O -2.293123 -1.167168 -1.948266
O -4.327712 1.704522 -0.225464
O 5.861272 1.005090 1.835123
O -6.590250 1.465437 1.194224
C -0.849404 -0.903418 0.622928
C 0.457845 -1.062700 -0.183178
C -1.773711 0.214422 0.056569
C 1.203487 0.317489 -0.180962
C 2.622709 0.225882 -0.890382
C 0.297809 1.486123 -0.648420
C -1.040638 1.568953 0.131269
C -3.007601 0.039347 1.009221
C -1.780346 -2.130357 0.826896
C 1.339506 -2.179451 0.432151
C -3.201525 -1.522256 1.089194
C 3.374841 -0.858602 -0.101387
C 2.772633 -2.243763 -0.179025
C 3.418968 1.565026 -0.843573
C -2.245254 -0.042063 -1.393952
C 2.528543 -0.189532 -2.391195
C -4.263249 0.825202 0.683744
C 3.986826 1.921578 0.544937
C 4.425197 -0.581536 0.737995
C 4.863235 0.786990 1.081532
C -5.516260 0.556668 1.523227
H -0.549599 -0.549861 1.637911
H 0.197963 -1.337985 -1.222332
H 1.416556 0.549402 0.888383
H 0.841528 2.444289 -0.512052
H -0.833968 1.824697 1.190269
H -1.662762 2.386777 -0.283565
H -2.683396 0.384710 2.018100
H -1.444256 -2.758688 1.670305
H -1.800642 -2.749167 -0.084372
H 0.840658 -3.158393 0.303152
H 1.436155 -2.002950 1.524256
H -3.906918 -1.858343 0.308859
H -3.616342 -1.822290 2.067418
H 2.705873 -2.594927 -1.225951
H 3.386513 -2.972658 0.380105
H 2.797262 2.390525 -1.235954
H 4.268981 1.465903 -1.547379
H -2.636722 0.864054 -1.912649
H 2.157707 0.657923 -2.988401
H 3.529213 -0.481325 -2.762077
H 1.837057 -1.028370 -2.566424
H 3.170698 2.091680 1.278053
H 4.586404 2.848398 0.515859
H 4.949542 -1.393653 1.258565
H -0.533764 2.064141 -2.411061
H -5.264472 0.651629 2.599734
H -5.834699 -0.494395 1.351211
H -6.287195 1.999603 0.405619


