%chk=000049018.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049018

0 1
 O    2.604500     -0.6931000      0.4858000    
 O    5.382400     -0.3489000      0.8531000    
 O   -3.528900      0.3454000      4.6000001E-03
 O    6.749400       1.343500     -0.8659000    
 O   -3.579000      -1.877200     -0.5922000    
 C    4.685900      0.3145000     -0.2044000    
 C    3.245100      0.5530000      0.2327000    
 C    5.405400       1.626000     -0.4906000    
 C    1.247500     -0.7355000      0.3057000    
 C   -1.508500     -0.8229000     -5.7500001E-02
 C   0.6412000      -1.924800     -8.4399998E-02
 C   0.4884000      0.4106000      0.5160000    
 C   -5.397300       1.845700      0.1749000    
 C   -4.950000      0.4281000     -0.1472000    
 C  -0.7409000      -1.968500     -0.2667000    
 C  -0.8939000      0.3667000      0.3339000    
 C   -2.949700     -0.8683000     -0.2472000    
 C   -6.901600       2.005600      4.9300000E-02
 H    4.729300     -0.3558000      -1.069300    
 H    3.225400       1.141100       1.158300    
 H    2.741000       1.108200     -0.5690000    
 H    5.437600       2.273100      0.3923000    
 H    4.927600       2.170900      -1.310100    
 H   -4.889900       2.551900     -0.4933000    
 H   -5.078200       2.110100       1.190300    
 H    1.235500      -2.819200     -0.2483000    
 H   0.9235000       1.348100      0.8481000    
 H   -5.426300     -0.2837000      0.5370000    
 H   -5.217700      0.1719000      -1.178800    
 H   -1.199600      -2.905300     -0.5718000    
 H   -1.452300       1.281000      0.5141000    
 H    5.354300      0.2249000       1.637900    
 H   -7.426200       1.335800      0.7380000    
 H   -7.195000       3.033200      0.2857000    
 H   -7.236100       1.782600     -0.9688000    
 H    7.160200      0.8547000     -0.1322000    


%chk=000049018-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049018

0 1
O 2.705693 -0.511893 -0.198334
O 5.245266 -0.377144 1.052786
O -3.651023 0.408463 0.016205
O 7.231390 1.196607 0.001474
O -3.613928 -1.920229 -0.111627
C 4.909877 0.405349 -0.151877
C 3.427511 0.776558 -0.150485
C 5.839711 1.627252 -0.083608
C 1.304358 -0.493168 -0.160890
C -1.516141 -0.675255 -0.098934
C 0.678460 -1.765480 -0.208724
C 0.525807 0.689966 -0.084081
C -5.646446 1.789799 0.162345
C -5.140654 0.350566 0.053225
C -0.720756 -1.851590 -0.177704
C -0.879648 0.589952 -0.053268
C -2.995111 -0.825730 -0.068554
C -7.190254 1.837506 0.208085
H 5.140688 -0.189755 -1.059563
H 3.163000 1.318343 0.779367
H 3.166136 1.392288 -1.034773
H 5.559559 2.251423 0.792925
H 5.761329 2.232094 -1.002665
H -5.272718 2.372069 -0.700759
H -5.224053 2.254228 1.073138
H 1.304332 -2.660511 -0.272193
H 0.995749 1.676814 -0.048381
H -5.447824 -0.267229 0.917825
H -5.497103 -0.148663 -0.867259
H -1.225304 -2.822433 -0.213869
H -1.494465 1.492214 0.006398
H 4.670101 -1.182954 1.075310
H -7.584100 1.277430 1.076713
H -7.547411 2.879213 0.289336
H -7.633851 1.399391 -0.705426
H 7.264923 0.497907 0.707842


