%chk=000003516.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003516

0 1
 O  -0.6032000     -0.2421000     -0.4731000    
 O   -2.568000      0.3452000       1.435100    
 O   -4.728600      0.6062000     -0.3218000    
 O    1.098200       1.932900     -0.1597000    
 C   -2.811500     -0.6306000      0.4193000    
 C   -1.481300      -1.253200      1.0400000E-02
 C   -3.482600      7.0200004E-02 -0.7546000    
 C   0.7350000     -0.4316000     -0.2517000    
 C    1.581600      0.6609000     -9.4800003E-02
 C    1.234700      -1.728200     -0.1863000    
 C    2.942700      0.4547000      0.1299000    
 C    2.595900      -1.934300      3.8400002E-02
 C    3.449900     -0.8429000      0.1965000    
 C    2.037100       2.992700      1.2400000E-02
 H   -3.472400      -1.393100      0.8461000    
 H   -1.636800      -2.005500     -0.7711000    
 H   -1.072700      -1.734200      0.9089000    
 H   -3.667300     -0.6164000      -1.586400    
 H   -2.885200      0.9129000      -1.116500    
 H   0.6131000      -2.605600     -0.3363000    
 H    3.664400       1.253500      0.2610000    
 H   -3.426200      0.7342000       1.676300    
 H    2.992700      -2.944400      8.2900003E-02
 H    4.509900      -1.004800      0.3695000    
 H   -5.279600     -0.1378000     -2.4400000E-02
 H    2.788700       2.999300     -0.7842000    
 H    2.487500       2.974700       1.010700    
 H    1.480600       3.932400     -6.8000004E-02


%chk=000003516-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000003516

0 1
O -0.597811 -0.237221 0.109816
O -3.185430 -0.468035 1.725714
O -4.530113 0.981516 -0.251657
O 0.984815 1.861736 -0.112956
C -2.945526 -0.815921 0.322924
C -1.524329 -1.370763 0.207937
C -3.199232 0.415712 -0.570714
C 0.771609 -0.518678 0.070602
C 1.632166 0.620792 -0.043751
C 1.332311 -1.812816 0.134799
C 3.031078 0.435012 -0.083133
C 2.737765 -1.987489 0.092879
C 3.583767 -0.868230 -0.014082
C 1.832812 3.052010 -0.196646
H -3.645904 -1.634258 0.026602
H -1.426785 -2.011245 -0.694265
H -1.310256 -1.974028 1.111997
H -3.110480 0.161454 -1.645871
H -2.481967 1.210361 -0.322988
H 0.684531 -2.690081 0.221457
H 3.698217 1.298021 -0.167347
H -3.899222 0.226090 1.727095
H 3.157879 -2.997245 0.146670
H 4.670898 -0.995940 -0.044789
H -5.236767 0.397789 -0.629300
H 2.450740 3.045578 -1.116365
H 2.490232 3.142232 0.690339
H 1.131604 3.898747 -0.226466


