%chk=000033747.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033747

0 1
 O  -0.2008000     -0.5240000     -0.5541000    
 O    1.437200      -1.814200      -1.554400    
 O   -4.342300     -0.6696000      0.7751000    
 C    2.608800      9.8800004E-02  0.9340000    
 C    3.452000     -0.2290000     -0.2505000    
 C    2.032100      0.1809000     -0.4489000    
 C    2.932000       1.359300       1.663700    
 C    2.102700     -0.9844000       1.827500    
 C    4.507300      0.7084000     -0.6797000    
 C    1.072900     -0.8351000     -0.9191000    
 C    5.777300      0.7783000     -0.2367000    
 C    6.735900       1.800400     -0.7812000    
 C    6.346700     -0.1314000      0.8149000    
 C   -1.203600      -1.457000     -0.9693000    
 C   -2.544300     -0.9784000     -0.4949000    
 C   -3.131600      -1.281100      0.6939000    
 C   -3.414100     -0.1400000      -1.202300    
 C   -4.506600      2.2900000E-02 -0.3827000    
 C   -2.741200      -2.097900       1.852400    
 C   -5.763800      0.7712000     -0.5195000    
 C   -5.639100       2.153200      2.2000000E-03
 C   -5.517600       3.268700      0.4297000    
 H    3.711300      -1.271300     -0.4083000    
 H    1.837000       1.176300     -0.8388000    
 H    2.105200       1.633100       2.329400    
 H    3.825700       1.233000       2.284300    
 H    3.090700       2.218500       1.002700    
 H    2.044800      -1.957000       1.327000    
 H    2.768500      -1.112000       2.688300    
 H    1.105000     -0.7388000       2.207300    
 H    4.210500       1.412200      -1.456200    
 H    7.095200       2.449300      2.4100000E-02
 H    7.598000       1.305100      -1.239800    
 H    6.275900       2.439300      -1.542300    
 H    7.197600     -0.6894000      0.4108000    
 H    6.692500      0.4545000       1.672900    
 H    5.620700     -0.8607000       1.186000    
 H  -0.9831000      -2.445600     -0.5490000    
 H   -1.202200      -1.531200      -2.063500    
 H   -3.277100      0.2963000      -2.181500    
 H   -1.671300      -1.995100       2.059500    
 H   -3.285500      -1.796900       2.753100    
 H   -2.953800      -3.154300       1.662300    
 H   -6.570800      0.2533000      1.2000000E-02
 H   -6.059900      0.8087000      -1.574500    
 H   -5.409400       4.258000      0.8089000    


%chk=000033747-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033747

0 1
O -0.191334 -1.232278 2.007999
O 0.885883 -2.206038 0.173189
O -3.793705 0.243632 -0.351305
C 3.540949 -1.200300 1.653704
C 3.129183 -0.176561 0.586167
C 2.077724 -0.655043 1.655508
C 4.407991 -0.758597 2.833004
C 3.813692 -2.632874 1.198550
C 3.584975 1.236631 0.568280
C 0.921833 -1.447590 1.179956
C 3.621598 2.067750 -0.516858
C 4.128817 3.494144 -0.382646
C 3.175190 1.683301 -1.916043
C -1.463838 -1.935943 1.594531
C -2.247696 -1.144330 0.596365
C -3.325491 -0.305822 0.861624
C -2.027109 -1.113078 -0.841918
C -2.970682 -0.267234 -1.386770
C -4.049522 0.111995 2.099684
C -3.284682 0.193570 -2.783789
C -2.980147 1.620858 -3.034039
C -2.728140 2.806436 -3.257385
H 2.935192 -0.631325 -0.392250
H 1.835409 0.048285 2.456784
H 4.303733 -1.472922 3.670654
H 5.474059 -0.732075 2.537766
H 4.136631 0.241703 3.212656
H 3.137724 -2.939431 0.383528
H 4.857835 -2.719185 0.842743
H 3.681745 -3.342398 2.037692
H 3.924174 1.648003 1.530268
H 4.997776 3.672160 -1.047709
H 3.348534 4.222255 -0.682401
H 4.436259 3.727671 0.651616
H 2.360257 2.352172 -2.257468
H 4.006374 1.804458 -2.639072
H 2.807236 0.647751 -1.989519
H -1.998897 -2.051578 2.549774
H -1.180879 -2.922672 1.189691
H -1.239682 -1.648370 -1.368412
H -3.587195 -0.351325 2.986678
H -4.012462 1.208995 2.230816
H -5.114817 -0.182767 2.067782
H -4.354948 0.012554 -3.007928
H -2.704058 -0.431948 -3.486942
H -2.510087 3.842661 -3.439753


