%chk=000174625.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000174625

0 1
 O   0.7833000      0.4805000      0.9677000    
 O  -3.6300000E-02   1.231000      -1.132300    
 O   -3.852800     -0.2785000     -0.1508000    
 O    3.821100     -0.3294000     -0.3923000    
 O   -5.118100      -2.146700      0.3485000    
 O    5.561600     -0.5388000       1.113400    
 C   -1.584900      0.1831000      0.4415000    
 C    2.255000       1.557100     -0.5660000    
 C    1.055200      0.6357000     -0.4271000    
 C  -0.3475000     -0.3670000       1.175600    
 C   -1.209300      0.4220000      -1.033000    
 C   -2.015700       1.515200       1.085500    
 C   -2.741100     -0.8193000      0.5347000    
 C    3.473500      0.9350000      0.1575000    
 C    1.932000       2.934600      5.2000001E-02
 C    2.587300       1.762700      -2.059700    
 C   -2.391800       1.316100       2.535800    
 C   -4.983200      -1.048700     -0.1678000    
 C    4.887700     -0.9550000      0.1845000    
 C   -6.026200     -0.3256000     -0.9244000    
 C    5.096000      -2.239900     -0.5148000    
 C   -7.234500     -0.8721000      -1.087700    
 C    6.088800      -3.051900     -0.1408000    
 H    1.273100     -0.3464000     -0.8692000    
 H  -9.3800001E-02  -1.365500      0.7937000    
 H  -0.4903000     -0.4973000       2.250300    
 H   -2.009500      0.9421000      -1.570700    
 H   -1.027700     -0.5237000      -1.559000    
 H   -1.208400       2.255500       1.030300    
 H   -2.865000       1.954900      0.5481000    
 H   -2.449100      -1.756300      4.1400000E-02
 H   -3.003400      -1.075700       1.566300    
 H    3.268300      0.8192000       1.229200    
 H    4.335500       1.608000      5.8100000E-02
 H    1.079200       3.415100     -0.4395000    
 H    2.788000       3.612300     -4.7699999E-02
 H    1.704500       2.857100       1.120800    
 H    3.497500       2.361800      -2.178200    
 H    1.782800       2.286300      -2.588000    
 H    2.750800      0.8061000      -2.568200    
 H   -3.253600      0.6605000       2.678400    
 H   -2.690100       2.287100       2.950800    
 H   -1.566900      0.9723000       3.162700    
 H   -5.795600      0.6482000      -1.341300    
 H    4.434600      -2.510600      -1.330100    
 H   -7.999800     -0.3405000      -1.643300    
 H   -7.494500      -1.843800     -0.6826000    
 H    6.241100      -3.995300     -0.6546000    
 H    6.766300      -2.809200      0.6705000    


%chk=000174625-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000174625

0 1
O 0.764836 0.544203 1.048694
O -0.019571 1.331489 -1.084269
O -3.926961 -0.301745 -0.232176
O 3.775736 -0.400084 -0.328198
O -5.096063 -2.236732 0.359114
O 5.770657 -0.522837 0.885653
C -1.651447 0.255056 0.481049
C 2.344464 1.596218 -0.504145
C 1.089539 0.703003 -0.372271
C -0.405365 -0.334161 1.206783
C -1.228877 0.491252 -1.000234
C -2.109310 1.605892 1.107155
C -2.754582 -0.814828 0.529811
C 3.506190 0.941107 0.270169
C 2.080939 2.987297 0.129867
C 2.703130 1.744518 -2.003972
C -2.457819 1.573924 2.610508
C -5.059653 -1.130992 -0.233537
C 4.957625 -1.031980 0.075754
C -6.149056 -0.498186 -1.019816
C 5.079384 -2.353341 -0.595656
C -7.352204 -1.109668 -1.172004
C 6.146057 -3.162055 -0.366899
H 1.264087 -0.311460 -0.804817
H -0.166474 -1.340696 0.792532
H -0.560556 -0.425607 2.293159
H -2.006412 1.036170 -1.556437
H -1.033835 -0.484138 -1.502048
H -1.302769 2.341332 0.934523
H -2.991617 1.954190 0.536656
H -2.430834 -1.765917 0.063583
H -3.076129 -1.038870 1.563407
H 3.250664 0.794592 1.333492
H 4.425014 1.550467 0.196203
H 1.234176 3.475957 -0.380021
H 2.972314 3.632493 0.023812
H 1.831983 2.897333 1.201368
H 3.598889 2.382846 -2.116599
H 1.867724 2.210768 -2.551692
H 2.922031 0.764117 -2.462426
H -3.259981 0.848639 2.842245
H -2.816382 2.568059 2.933480
H -1.579823 1.328621 3.234767
H -5.927631 0.478233 -1.462769
H 4.268757 -2.631428 -1.277212
H -8.159760 -0.648339 -1.749534
H -7.539579 -2.087845 -0.713672
H 6.243686 -4.135971 -0.857493
H 6.938906 -2.848599 0.322311


