%chk=000050374.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050374

0 1
 O    1.253500      -1.337900      0.6704000    
 O    3.428000      0.4538000      0.3150000    
 O   3.2000002E-02  -2.869600     -0.5189000    
 O   -4.267500      7.4000001E-02  0.1427000    
 O   -2.808800       1.212400      -1.235600    
 C  -0.7233000     -0.5614000     -0.3432000    
 C  -0.3049000      0.3942000      0.7580000    
 C    1.160000      6.5700002E-02  0.9578000    
 C   -2.192500     -0.9326000     -0.2718000    
 C   0.1876000      -1.736000     -9.2100002E-02
 C    2.092400      0.8327000      3.0999999E-02
 C   -3.093400      0.2526000     -0.5326000    
 C    4.357000       1.136100     -0.5190000    
 C   -5.230000       1.122600     -6.8999999E-03
 C   -6.465400      0.7764000      0.7967000    
 C    5.725800      0.7260000     -0.2041000    
 C    6.849500      0.3908000      5.2600000E-02
 H  -0.4668000     -0.1472000      -1.325700    
 H  -0.8496000      0.1706000       1.684500    
 H  -0.4846000       1.445800      0.5145000    
 H    1.459400      0.2161000       2.001000    
 H   -2.422800      -1.355500      0.7143000    
 H   -2.433000      -1.699500      -1.017200    
 H    1.876100      0.5990000      -1.018000    
 H    1.974000       1.910900      0.1894000    
 H    4.253400       2.217100     -0.3705000    
 H    4.138000      0.9099000      -1.569000    
 H   -5.494200       1.227600      -1.065100    
 H   -4.803500       2.064100      0.3568000    
 H   -7.223800       1.558900      0.7047000    
 H   -6.893100     -0.1724000      0.4563000    
 H   -6.213900      0.6503000       1.854900    
 H    7.846400      9.3300000E-02  0.2804000    


%chk=000050374-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050374

0 1
O 1.314626 -1.492653 0.423470
O 3.641075 0.437652 0.272776
O -0.215305 -2.855202 -0.674068
O -4.484520 0.104952 0.211664
O -2.819744 1.478426 -0.667407
C -0.797620 -0.478607 -0.142740
C -0.115126 0.389459 0.938167
C 1.369095 -0.062108 0.890493
C -2.277824 -0.817067 0.084017
C 0.070732 -1.748254 -0.189615
C 2.249609 0.756354 -0.056110
C -3.177000 0.382698 -0.170431
C 4.577396 1.056082 -0.686134
C -5.492292 1.189646 -0.025313
C -6.836346 0.650329 0.450869
C 5.957811 0.784600 -0.271424
C 7.131499 0.579761 0.040790
H -0.708182 0.020241 -1.128808
H -0.541319 0.158235 1.931293
H -0.240422 1.467700 0.752572
H 1.852058 -0.095704 1.880160
H -2.455944 -1.194750 1.107705
H -2.578279 -1.637379 -0.597048
H 2.021672 0.507588 -1.116321
H 2.058643 1.841943 0.102616
H 4.407871 2.155804 -0.729761
H 4.399634 0.642799 -1.703512
H -5.488037 1.433612 -1.102934
H -5.170363 2.087156 0.533038
H -7.620868 1.413131 0.295386
H -7.118139 -0.257010 -0.109818
H -6.803623 0.399672 1.524800
H 8.151234 0.389693 0.322929


