%chk=000100771.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100771

0 1
 O   0.4801000      -1.776400     -0.9774000    
 O    2.476300      -2.806100      0.6438000    
 O    4.519600      -1.154300       1.519000    
 C    2.547500       1.194500     -0.4692000    
 C    1.510300     -0.9651000     -0.5321000    
 C    1.516900      0.3655000     -0.9124000    
 C    2.572800       2.631200     -0.8685000    
 C   -3.394800     -0.7297000      7.9800002E-02
 C    3.554600      0.6797000      0.3470000    
 C  -0.7904000      -1.433800     -0.6300000    
 C    2.500700      -1.493300      0.2767000    
 C    3.531200     -0.6643000      0.7199000    
 C   -4.787100     -0.3543000      0.4597000    
 C   -3.108300      -1.111800      -1.230800    
 C   -2.379200     -0.6997000       1.035500    
 C   -1.806100      -1.463900      -1.585500    
 C   -1.077000      -1.051700      0.6806000    
 C    1.838000       3.524800      9.6900001E-02
 C   -5.070600       1.115300      0.2844000    
 C   0.7598000       4.249900     -0.2214000    
 C   -5.394200       1.943300       1.284100    
 H   0.7377000      0.7650000      -1.556300    
 H    3.611600       2.978900     -0.9403000    
 H    2.166600       2.737900      -1.883100    
 H    4.360100       1.320700      0.6976000    
 H   -5.504100     -0.9203000     -0.1491000    
 H   -4.982800     -0.6672000       1.494000    
 H   -3.889900      -1.138100      -1.985500    
 H   -2.590000     -0.4066000       2.060600    
 H   -1.588500      -1.759700      -2.608200    
 H  -0.3103000      -1.036300       1.450300    
 H    2.225400       3.590100       1.110800    
 H   -5.021800       1.516400     -0.7252000    
 H    1.691200      -3.220600      0.2455000    
 H    4.345200      -2.098400       1.677000    
 H   0.2823000       4.879700      0.5212000    
 H   0.3361000       4.227400      -1.219300    
 H   -5.593700       2.991000       1.087100    
 H   -5.464000       1.594800       2.308500    


%chk=000100771-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100771

0 1
O 0.462538 -1.673950 -0.697009
O 2.655357 -2.967711 0.339801
O 4.970153 -1.605686 0.953049
C 2.838344 1.229119 -0.204282
C 1.567009 -0.848285 -0.337925
C 1.636980 0.545764 -0.525827
C 2.948563 2.738346 -0.437149
C -3.609323 -0.622365 -0.044161
C 3.949647 0.503742 0.292454
C -0.875824 -1.248580 -0.461581
C 2.673638 -1.574335 0.145819
C 3.870850 -0.892663 0.464240
C -5.087099 -0.309956 0.200509
C -3.210462 -1.462873 -1.114057
C -2.603479 -0.103176 0.811293
C -1.851840 -1.778588 -1.330114
C -1.240371 -0.410976 0.616238
C 1.740768 3.522323 0.041878
C -5.363605 1.150460 0.510622
C 0.990859 4.345678 -0.733169
C -6.013683 1.601338 1.612827
H 0.775445 1.098019 -0.913690
H 3.854054 3.108704 0.084054
H 3.102512 2.940954 -1.515973
H 4.886196 1.009116 0.548003
H -5.664306 -0.606354 -0.698748
H -5.469824 -0.930453 1.035742
H -3.969141 -1.872633 -1.791762
H -2.893457 0.550209 1.642280
H -1.537970 -2.421416 -2.157993
H -0.476713 -0.010177 1.289702
H 1.481491 3.394263 1.104089
H -5.000571 1.872647 -0.236593
H 1.771250 -3.319023 0.058048
H 4.734758 -2.569565 1.001734
H 0.136219 4.898203 -0.327030
H 1.214374 4.492568 -1.797655
H -6.198984 2.669094 1.774529
H -6.383149 0.912719 2.383507


