%chk=000068781.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068781

0 1
 O  -9.0999998E-02   4.315500       1.454600    
 O    5.034000     -0.4920000     -0.4396000    
 O    3.900600      -2.244000      0.7634000    
 O    1.095200      -2.286800       1.189700    
 O  -0.6799000      -2.274200      -1.202900    
 O   -4.692800     -0.4433000      0.5772000    
 O   -3.373100      -2.411400     -0.8477000    
 C  -0.3810000       3.241000      0.5320000    
 C   0.8408000       3.189600     -0.4409000    
 C  -0.5278000       1.969400       1.412700    
 C   0.8622000       1.981600      -1.400900    
 C    1.595200      0.7971000     -0.8034000    
 C   -1.229100      0.7765000      0.7954000    
 C   -1.693200       3.628400     -0.1681000    
 C   0.9822000       4.483100      -1.266100    
 C   0.9194000     -0.2319000     -9.1300003E-02
 C  -0.5442000     -0.2345000      8.6599998E-02
 C    2.997900      0.7535000     -0.9464000    
 C    1.673300      -1.292100      0.4589000    
 C   -2.626200      0.6754000      0.9532000    
 C   -1.291700      -1.300100     -0.4586000    
 C    3.687800     -0.3021000     -0.3919000    
 C    3.042700      -1.298300      0.2928000    
 C   -3.342800     -0.3876000      0.4076000    
 C   -2.675200      -1.375000     -0.3025000    
 C    5.162400      -1.727200      0.2936000    
 C   0.9977000      -2.082900       2.597600    
 C  -0.5943000      -2.049700      -2.605200    
 C   -5.497900      0.1918000     -0.4143000    
 C   -3.551100      -3.569900     -3.5700001E-02
 H    1.744400       3.161500      0.1865000    
 H   -1.079500       2.242900       2.325200    
 H   0.4529000       1.673000       1.808500    
 H    1.384600       2.244800      -2.331300    
 H  -0.1438000       1.703400      -1.731800    
 H   -2.512900       3.680500      0.5581000    
 H   -1.642300       4.628600     -0.6116000    
 H   -1.971100       2.922900     -0.9560000    
 H    1.001300       5.376700     -0.6362000    
 H    1.925900       4.472500      -1.824100    
 H   0.1749000       4.587700      -1.997800    
 H  -0.2713000       5.164900       1.019200    
 H    3.528800       1.536800      -1.479000    
 H   -3.163100       1.441300       1.510000    
 H    5.627900      -2.475700     -0.3578000    
 H    5.815300      -1.556700       1.157300    
 H   0.4522000      -1.161700       2.824700    
 H    1.994500      -2.047600       3.048300    
 H   0.4505000      -2.926300       3.027500    
 H  -1.3200000E-02  -2.863900      -3.047000    
 H  -8.8500001E-02  -1.104200      -2.824600    
 H   -1.591400      -2.050800      -3.056300    
 H   -5.280800       1.264000     -0.4552000    
 H   -6.547900      5.7300001E-02 -0.1407000    
 H   -5.330700     -0.2631000      -1.395700    
 H   -4.118400      -3.323600      0.8673000    
 H   -2.583200      -4.003000      0.2357000    
 H   -4.115100      -4.308400     -0.6119000    


%chk=000068781-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068781

0 1
O -0.135175 4.655716 1.420593
O 5.082399 -0.371159 0.028512
O 3.907133 -1.984625 1.344189
O 0.837103 -1.876865 1.665239
O -0.636166 -2.192290 -0.828249
O -4.846917 -0.038544 0.570932
O -3.458642 -2.284420 -0.657915
C -0.399107 3.573516 0.421880
C 0.865598 3.445904 -0.492683
C -0.599769 2.336045 1.361042
C 0.913922 2.119388 -1.330018
C 1.615943 0.973760 -0.612413
C -1.311947 1.122287 0.779487
C -1.682069 3.930634 -0.355803
C 1.050773 4.660694 -1.437042
C 0.893547 -0.001454 0.131639
C -0.598098 0.025419 0.209305
C 3.037503 0.905382 -0.713345
C 1.587642 -1.047693 0.830442
C -2.725672 1.064104 0.843634
C -1.336841 -1.085121 -0.283061
C 3.680310 -0.142156 -0.059229
C 2.984178 -1.100410 0.701461
C -3.453991 -0.044613 0.364944
C -2.751354 -1.145129 -0.195004
C 5.205225 -1.696350 0.680374
C 1.194365 -3.309239 1.699234
C -0.816541 -2.350641 -2.288719
C -5.698991 -0.313455 -0.606054
C -3.290299 -3.472559 0.213885
H 1.724715 3.431857 0.208213
H -1.190300 2.722783 2.211352
H 0.390207 2.053492 1.761310
H 1.465886 2.333372 -2.265135
H -0.109432 1.829460 -1.630018
H -2.531445 4.019282 0.342924
H -1.573146 4.899217 -0.877344
H -1.938051 3.163612 -1.107778
H 0.986328 5.632082 -0.907862
H 2.050858 4.622328 -1.906791
H 0.301249 4.667106 -2.249652
H 0.025066 5.501291 0.927969
H 3.599735 1.644514 -1.289877
H -3.292982 1.879768 1.302331
H 5.393480 -2.464670 -0.095795
H 5.993735 -1.650949 1.445771
H 2.232127 -3.456714 2.044083
H 1.052443 -3.747504 0.694806
H 0.486359 -3.758294 2.412046
H -0.241283 -3.248802 -2.562831
H -0.409867 -1.469253 -2.820728
H -1.884944 -2.488341 -2.534576
H -5.567369 0.482344 -1.365264
H -6.730764 -0.294921 -0.222728
H -5.461170 -1.297165 -1.043235
H -3.692095 -3.261864 1.222234
H -2.222875 -3.749990 0.275909
H -3.870429 -4.276469 -0.265489


