%chk=000084298.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084298

0 1
 O    5.000300      -1.051200      0.5473000    
 O  -0.3810000      -1.337200      0.3902000    
 O    1.009700      -1.107500      -1.488900    
 O   -2.164500      0.1039000     -4.2100001E-02
 O   0.8629000       3.013400      0.5979000    
 O   -2.175300      -3.525500      0.3790000    
 O   -4.901400      -2.716500       1.150100    
 O   -5.765600     -0.4474000     -0.4183000    
 O    5.079500      -2.675100      -1.099300    
 O   -2.825100       2.475800      -1.264400    
 O   0.4304000       4.732700     -0.8834000    
 C    2.667400      -1.007500      0.9314000    
 C    1.591900      5.3500000E-02  0.7006000    
 C    3.971500     -0.2853000       1.201700    
 C   0.5261000     -0.4666000     -0.2946000    
 C    2.432500       1.245300      0.2883000    
 C    3.017300      -1.687100     -0.3358000    
 C    3.733100       1.057200      0.5727000    
 C   -1.697300      -1.238500     -0.1527000    
 C    4.466700      -1.915100     -0.3742000    
 C   -2.602700      -2.187400      0.6327000    
 C    2.238900      -1.707000      -1.415800    
 C    1.829500       2.474000     -0.2914000    
 C   -4.065200      -2.034000      0.2145000    
 C   -4.482800     -0.5635000      0.1919000    
 C   -3.471700      0.2763000     -0.5920000    
 C   -3.804300       1.763800     -0.5299000    
 C   0.2332000       4.152500      0.1757000    
 C  -0.7540000       4.604000       1.208800    
 H    2.405500      -1.736600       1.705200    
 H    1.106100      0.3001000       1.654600    
 H    4.200600     -0.1919000       2.267900    
 H  -1.0300000E-02  0.4183000     -0.6517000    
 H    4.513900       1.784700      0.4023000    
 H   -1.655200      -1.536600      -1.209100    
 H   -2.502100      -2.017200       1.711800    
 H    2.538900      -2.085700      -2.382400    
 H    1.358900       2.235900      -1.252400    
 H    2.606200       3.227200     -0.4734000    
 H   -4.236000      -2.509600     -0.7592000    
 H   -4.574700     -0.1950000       1.221000    
 H   -3.446500     -2.1600001E-02  -1.649000    
 H   -3.784900       2.136200      0.4997000    
 H   -4.784700       1.978400     -0.9645000    
 H   -1.240300      -3.586700      0.6398000    
 H   -5.822300      -2.589700      0.8638000    
 H   -5.692300     -0.7661000      -1.334100    
 H   -1.958200       2.272100     -0.8735000    
 H  -0.2319000       4.851800       2.136300    
 H   -1.494400       3.818700       1.381400    
 H   -1.272800       5.497200      0.8492000    


%chk=000084298-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000084298

0 1
O 4.944523 -1.331290 0.818396
O -0.415652 -1.074313 0.420743
O 0.987569 -0.898991 -1.505444
O -2.368332 0.189991 0.243107
O 0.990513 3.079771 0.231863
O -1.965012 -3.524160 -0.111811
O -4.700769 -3.188786 0.901145
O -5.986286 -0.794029 -0.194811
O 4.998911 -2.856153 -0.961709
O -3.166198 2.698470 -0.383595
O 1.223281 4.940332 -1.152188
C 2.527790 -1.015428 1.033643
C 1.603479 0.185580 0.721522
C 3.912425 -0.407765 1.409796
C 0.508862 -0.192371 -0.287384
C 2.607938 1.275240 0.320866
C 2.900697 -1.723931 -0.254993
C 3.863375 0.959800 0.746096
C -1.743980 -1.086389 -0.142010
C 4.335247 -2.096760 -0.236974
C -2.497914 -2.289541 0.456636
C 2.170969 -1.631528 -1.398221
C 2.216924 2.516342 -0.425338
C -3.985983 -2.217761 0.080206
C -4.595510 -0.809462 0.302315
C -3.740375 0.312514 -0.314923
C -4.174414 1.735224 0.068140
C 0.595789 4.350233 -0.247352
C -0.644396 4.838337 0.463127
H 2.117168 -1.699922 1.793071
H 1.055356 0.514063 1.623837
H 4.146471 -0.371222 2.485965
H -0.028217 0.681774 -0.689875
H 4.750720 1.590631 0.646107
H -1.704239 -1.162996 -1.252216
H -2.397371 -2.255815 1.560834
H 2.480886 -2.044546 -2.361701
H 1.962023 2.301877 -1.482308
H 3.015639 3.277061 -0.421116
H -4.073067 -2.473270 -1.003616
H -4.705480 -0.637240 1.387217
H -3.690122 0.212807 -1.424436
H -4.314569 1.791473 1.167802
H -5.117858 2.006053 -0.429486
H -1.043050 -3.655157 0.227245
H -5.671861 -3.059786 0.736105
H -5.981033 -0.909753 -1.181519
H -2.290373 2.334138 -0.084599
H -0.733982 4.391231 1.464956
H -1.548444 4.572914 -0.117017
H -0.608569 5.936411 0.537601


