%chk=000112475.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112475

0 1
 O   -3.399800      -1.510700     -0.3706000    
 O   8.0100000E-02  0.7845000     -5.8899999E-02
 O   -1.643400      0.4379000      -1.557600    
 C   -3.502300      -1.157900       1.010200    
 C   -4.464800     -0.6106000     -8.6000003E-03
 C   -2.391400     -0.3137000       1.549600    
 C   -4.299600      0.7643000     -0.5688000    
 C   -2.122100      0.9641000      0.7469000    
 C   -3.420800       1.651500      0.3146000    
 C   -1.232100      0.6958000     -0.4345000    
 C    2.319300     -5.0000001E-02 -0.4910000    
 C    1.035000      0.5513000      -1.085100    
 C    3.033200       1.015800      0.3671000    
 C    2.058600      -1.383400      0.2451000    
 C    4.402800      0.5675000      0.8875000    
 C    5.394700      0.2393000     -0.2319000    
 C    1.388100      -2.464100     -0.5919000    
 C    6.764500     -0.1817000      0.2778000    
 H   -3.837100      -1.921100       1.698800    
 H   -5.473700     -0.9936000     -5.9500001E-02
 H   -2.664900     -2.6500000E-02   2.572600    
 H   -1.482700     -0.9225000       1.627100    
 H   -3.944900      0.7203000      -1.602500    
 H   -5.290000       1.232900     -0.6305000    
 H   -1.584600       1.672200       1.392800    
 H   -3.985600       1.931400       1.213500    
 H   -3.200700       2.582100     -0.2226000    
 H    2.957700     -0.2716000      -1.354900    
 H    1.255300       1.509300      -1.570700    
 H   0.6455000     -0.1205000      -1.858900    
 H    3.163300       1.934200     -0.2191000    
 H    2.405000       1.277800       1.227500    
 H    1.455000      -1.201400       1.142500    
 H    3.012500      -1.795600      0.5919000    
 H    4.297900     -0.2894000       1.561600    
 H    4.817800       1.380500       1.496800    
 H    5.014500     -0.5798000     -0.8505000    
 H    5.510100       1.111300     -0.8864000    
 H   0.3590000      -2.193700     -0.8461000    
 H    1.352000      -3.404300     -3.2000002E-02
 H    1.941700      -2.641800      -1.519000    
 H    6.690100      -1.077800      0.9020000    
 H    7.220400      0.6152000      0.8738000    
 H    7.431400     -0.4042000     -0.5610000    


%chk=000112475-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000112475

0 1
O -2.234139 -1.440269 0.042130
O -0.000790 0.961212 -0.265620
O -1.551127 1.321950 -1.963018
C -2.660321 -0.803031 1.347980
C -3.683833 -1.015496 0.267902
C -2.086968 0.577451 1.616772
C -4.173712 0.136613 -0.600694
C -2.252842 1.535159 0.404994
C -3.716563 1.530595 -0.099110
C -1.276995 1.245108 -0.742219
C 2.204979 -0.076143 -0.594743
C 1.037431 0.635771 -1.293159
C 2.920905 0.886634 0.395584
C 1.772553 -1.407538 0.077711
C 4.199075 0.328161 1.067442
C 5.315822 -0.082554 0.078945
C 1.048542 -2.397921 -0.861894
C 6.618488 -0.499303 0.795241
H -2.639956 -1.502140 2.196014
H -4.352637 -1.881986 0.357827
H -2.619275 1.010672 2.487801
H -1.019610 0.490512 1.885996
H -3.804029 -0.025120 -1.629782
H -5.279083 0.107807 -0.644626
H -1.998429 2.556057 0.758345
H -4.360986 1.854849 0.741650
H -3.836337 2.264326 -0.914988
H 2.913295 -0.325907 -1.416021
H 1.360911 1.588236 -1.754591
H 0.562740 0.013536 -2.070167
H 3.188077 1.816289 -0.151259
H 2.194669 1.182738 1.178517
H 1.115387 -1.175287 0.938731
H 2.675604 -1.896916 0.491558
H 3.945881 -0.538434 1.710991
H 4.601709 1.105511 1.749526
H 4.966391 -0.920174 -0.557379
H 5.522552 0.764980 -0.606847
H 0.038908 -2.041215 -1.128958
H 0.923732 -3.379638 -0.369137
H 1.624002 -2.562040 -1.794014
H 6.440893 -1.356307 1.472451
H 7.017415 0.332138 1.406873
H 7.402671 -0.795586 0.074343


