%chk=000102031.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102031

0 1
 O   -5.077000       1.749500     -0.4379000    
 O   -5.498200     -0.9969000       1.143500    
 O    4.788400       1.693600     -6.9300003E-02
 O    5.571300     -0.9248000     -0.5645000    
 C   -2.778200      0.8454000     -0.2962000    
 C   -2.297600     -0.4924000      0.3050000    
 C  -0.8622000     -0.8256000     -0.1027000    
 C   8.2000002E-02  0.2921000      0.4354000    
 C   -4.222700      0.8467000      0.2420000    
 C   -1.886000       1.963500      0.2572000    
 C   -3.420800      -1.469700     -4.3900002E-02
 C   -4.697500     -0.6082000      3.5100002E-02
 C  -0.3940000       1.697600     -2.0900000E-02
 C  -0.3944000      -2.176500      0.4422000    
 C   -2.774000      0.9024000      -1.844400    
 C    1.544000     -2.5400000E-02  0.1326000    
 C   0.9846000      -2.511000     -0.1185000    
 C    1.958200      -1.358300     -8.3899997E-02
 C    2.526000      0.9810000      0.1490000    
 C    3.314100      -1.639500     -0.3283000    
 C    3.870800      0.6864000     -8.6300001E-02
 C    4.264600     -0.6228000     -0.3298000    
 C    5.398500       1.993000       1.184500    
 H   -2.304200     -0.4049000       1.404600    
 H  -0.7935000     -0.8700000      -1.197300    
 H   1.2200000E-02  0.2851000       1.534300    
 H   -4.243100       1.118100       1.305300    
 H   -2.024100       2.049400       1.343000    
 H   -2.172700       2.933500     -0.1664000    
 H   -3.288700      -1.855100      -1.061200    
 H   -3.445500      -2.323300      0.6411000    
 H   -5.307600     -0.7253000     -0.8667000    
 H  -0.1827000       1.831900      -1.088600    
 H   0.1718000       2.477400      0.5019000    
 H   -1.090000      -2.977900      0.1695000    
 H  -0.3552000      -2.147000       1.538900    
 H   -1.776700      0.7630000      -2.269700    
 H   -3.420900      0.1425000      -2.293700    
 H   -3.133300       1.877300      -2.194200    
 H   0.8775000      -2.828800      -1.163600    
 H    1.393900      -3.359800      0.4428000    
 H   -5.975000       1.621200     -8.7800004E-02
 H   -4.945400     -0.9603000       1.942800    
 H    2.259300       2.014100      0.3529000    
 H    3.627800      -2.664300     -0.5169000    
 H    6.084400     -9.8399997E-02 -0.5648000    
 H    5.917300       1.115800       1.583900    
 H    4.647800       2.342700       1.900200    
 H    6.130100       2.790300       1.027700    


%chk=000102031-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102031

0 1
O -4.887641 2.038194 -0.194824
O -5.800017 -0.903596 0.802802
O 5.102596 1.284541 0.290265
O 5.708229 -1.233858 -0.416845
C -2.658374 0.895559 -0.167795
C -2.255911 -0.537912 0.317364
C -0.823427 -0.911290 -0.100188
C 0.158727 0.111687 0.554980
C -4.120818 0.916161 0.339138
C -1.705604 1.915962 0.496102
C -3.451631 -1.437462 -0.102016
C -4.688670 -0.477948 -0.067563
C -0.217557 1.581258 0.200580
C -0.410872 -2.342229 0.301539
C -2.642753 1.061182 -1.710872
C 1.624941 -0.248602 0.259888
C 0.967572 -2.684053 -0.299661
C 1.998550 -1.572609 -0.110021
C 2.647263 0.731857 0.405287
C 3.364708 -1.883555 -0.333906
C 3.995222 0.409472 0.182240
C 4.363342 -0.910904 -0.194919
C 4.835948 2.669555 0.674025
H -2.254458 -0.495208 1.432548
H -0.735219 -0.834687 -1.205469
H 0.008128 0.007426 1.656373
H -4.109592 0.967807 1.456339
H -1.869162 1.899329 1.594815
H -1.935117 2.942661 0.152707
H -3.307928 -1.850009 -1.117896
H -3.600731 -2.298958 0.574240
H -5.172418 -0.398939 -1.055548
H 0.016941 1.768986 -0.865268
H 0.409042 2.282774 0.783731
H -1.160869 -3.076810 -0.049233
H -0.374965 -2.415472 1.408386
H -1.614995 1.096276 -2.108707
H -3.170389 0.240332 -2.228909
H -3.152433 2.002799 -1.976964
H 0.845468 -2.876739 -1.386568
H 1.355639 -3.625484 0.135064
H -5.836524 1.914333 0.062411
H -5.444593 -1.066206 1.714307
H 2.379425 1.751152 0.696825
H 3.664664 -2.897775 -0.619336
H 6.251175 -0.414895 -0.266261
H 4.364175 2.720548 1.674379
H 4.185793 3.169268 -0.069897
H 5.818521 3.163383 0.700230


