%chk=000114533.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114533

0 1
 O    1.280000      0.3975000     -0.1338000    
 O    3.397100     -0.3100000      0.4617000    
 C  -0.8193000     -0.5441000      0.5428000    
 C   -1.298700      0.8288000       1.033800    
 C   -1.294100     -0.8073000     -0.8925000    
 C   -2.812600      0.9778000      0.9008000    
 C   -2.807900     -0.6553000      -1.022400    
 C   -3.281600      0.7068000     -0.5253000    
 C   0.7018000     -0.6491000      0.6357000    
 C    1.177400      -1.992900      0.1135000    
 C    2.646400      0.4514000     -0.1333000    
 C    3.111600       1.596300     -0.9811000    
 H   -1.261500      -1.311100       1.193900    
 H  -0.8200000       1.633700      0.4624000    
 H   -1.012800      0.9711000       2.082800    
 H   -1.035900      -1.821100      -1.216600    
 H  -0.8087000     -0.1143000      -1.591300    
 H   -3.309100      0.2808000       1.587100    
 H   -3.111400       1.988300       1.201400    
 H   -3.103400     -0.7880000      -2.069300    
 H   -3.304900      -1.446700     -0.4476000    
 H   -4.375400      0.7559000     -0.5696000    
 H   -2.899100       1.491000      -1.190200    
 H   0.9979000     -0.5290000       1.686100    
 H    1.270300      -2.007100     -0.9780000    
 H    2.158600      -2.263100      0.5152000    
 H   0.5073000      -2.802600      0.4239000    
 H    2.728300       2.536300     -0.5763000    
 H    2.775000       1.454500      -2.011100    
 H    4.204600       1.633100     -0.9731000    


%chk=000114533-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114533

0 1
O 1.352802 0.209611 -0.355738
O 3.223394 0.278672 1.042778
C -0.820482 -0.603880 0.432739
C -1.229340 0.774898 1.014925
C -1.383237 -0.777334 -1.002529
C -2.761129 0.982903 0.978994
C -2.916430 -0.566756 -1.039236
C -3.317392 0.808439 -0.453901
C 0.704318 -0.820970 0.539407
C 1.211411 -2.208948 0.125487
C 2.621815 0.661611 0.011945
C 3.155061 1.640562 -1.013947
H -1.277279 -1.391001 1.074910
H -0.734893 1.570310 0.422122
H -0.856370 0.868944 2.055032
H -1.137782 -1.783882 -1.393059
H -0.888834 -0.042966 -1.668339
H -3.248579 0.245126 1.650314
H -3.015890 1.987283 1.369639
H -3.283615 -0.663228 -2.079626
H -3.410009 -1.368902 -0.450780
H -4.419378 0.918567 -0.454779
H -2.912365 1.612545 -1.102807
H 1.040876 -0.597565 1.571091
H 1.034902 -2.397460 -0.947081
H 2.292431 -2.298285 0.326674
H 0.688885 -2.991002 0.706884
H 2.341950 2.250525 -1.437754
H 3.625868 1.081380 -1.843350
H 3.919191 2.282403 -0.550415


