%chk=000173954.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173954

0 1
 O    8.031500     -9.7700000E-02   1.395800    
 O   6.7199998E-02 -0.9981000     -0.6391000    
 O   -8.123000     -0.3231000      0.8096000    
 O    8.019500       2.273300     -5.4900002E-02
 O   -7.915800       2.330600      8.7000001E-03
 O   -1.258800      -2.888800     -0.5767000    
 C    4.646400     -0.1138000      5.2900001E-02
 C   -4.636300     -0.1989000     -0.2814000    
 C    5.777900     -0.5115000      0.7474000    
 C    6.918100      0.2911000      0.7138000    
 C    4.625700       1.065800     -0.6743000    
 C   -5.844300     -0.6841000      0.2197000    
 C    3.442400     -0.9610000      8.8500001E-02
 C   -6.948500      0.1623000      0.3187000    
 C    6.912200       1.481000     -1.3900000E-02
 C    5.765900       1.868500     -0.7079000    
 C   -4.532600       1.132700     -0.6835000    
 C   -6.844700       1.494000     -8.3400004E-02
 C   -5.636800       1.979100     -0.5846000    
 C    2.439200     -0.9184000     -0.8020000    
 C   -3.484900      -1.081500     -0.3848000    
 C    1.241700      -1.811000     -0.7330000    
 C   -2.198400     -0.6781000     -0.4790000    
 C   -1.109400      -1.677200     -0.5682000    
 C    8.971500     -0.9085000      0.6935000    
 C   -8.325800     -0.2269000       2.218000    
 H    5.791100      -1.437900       1.316700    
 H    3.750200       1.417300      -1.210900    
 H   -5.936900      -1.720700      0.5369000    
 H    3.393100      -1.676700      0.9063000    
 H    5.753900       2.796900      -1.272700    
 H   -3.619200       1.549100      -1.098000    
 H   -5.543900       3.013400     -0.9053000    
 H    2.459800     -0.2426000      -1.651500    
 H   -3.709400      -2.146100     -0.3710000    
 H    1.289500      -2.480900      0.1337000    
 H    1.192800      -2.413900      -1.647100    
 H   -1.907200      0.3662000     -0.4718000    
 H    8.704600       1.876700      0.5105000    
 H    8.517800      -1.865300      0.4166000    
 H    9.337300     -0.3943000     -0.2009000    
 H    9.819200      -1.102400       1.356400    
 H   -7.658200       3.211600     -0.3132000    
 H   -8.307000      0.8191000       2.540000    
 H   -7.562700     -0.7992000       2.755000    
 H   -9.307600     -0.6472000       2.452300    


%chk=000173954-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173954

0 1
O 8.067543 0.984152 0.290308
O 0.287801 -1.933206 0.868693
O -7.470863 0.953539 -1.100640
O 7.628927 2.068239 -2.116714
O -7.725114 2.046436 1.567536
O -0.702690 -2.144358 -1.245439
C 4.654938 -0.485648 -0.484549
C -4.205301 -0.038143 0.382800
C 5.857813 -0.218396 0.236232
C 6.837695 0.628077 -0.306604
C 4.482375 0.120984 -1.759957
C -5.309833 0.126568 -0.498284
C 3.652711 -1.374496 0.129839
C -6.490542 0.793121 -0.112165
C 6.648280 1.229044 -1.583905
C 5.466881 0.969241 -2.304076
C -4.317422 0.486303 1.702822
C -6.569022 1.332190 1.206208
C -5.484175 1.157973 2.101409
C 2.434258 -1.728699 -0.374069
C -3.015681 -0.740568 -0.106775
C 1.497735 -2.662518 0.336767
C -1.871362 -1.021239 0.591529
C -0.756818 -1.739251 -0.052978
C 8.368689 0.427265 1.609195
C -8.882976 0.697440 -0.743426
H 6.001873 -0.679683 1.219646
H 3.572535 -0.069795 -2.337475
H -5.267943 -0.265808 -1.520194
H 3.935946 -1.794242 1.108524
H 5.338749 1.437448 -3.284384
H -3.493940 0.375495 2.414683
H -5.557503 1.570600 3.116851
H 2.077086 -1.341647 -1.336252
H -3.042018 -1.081537 -1.152301
H 1.952735 -3.097575 1.241017
H 1.129416 -3.456395 -0.338743
H -1.722316 -0.738452 1.638054
H 8.378494 2.125230 -1.465557
H 7.615048 0.746626 2.354334
H 8.412359 -0.678075 1.571063
H 9.355354 0.830136 1.880562
H -7.636358 2.410835 2.483293
H -9.243066 1.422353 0.003348
H -9.001138 -0.333437 -0.357648
H -9.432058 0.806774 -1.690675


