%chk=000131944.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131944

0 1
 O   -3.497200       1.129400      0.9249000    
 O   -1.001300     -0.6834000      0.7106000    
 O   -4.186500     -0.7886000      -2.008800    
 O   -6.559100      0.8542000     -0.7678000    
 O   -2.826900      -1.793500       1.518500    
 O   -5.411400      -1.051900       1.295000    
 O   -5.264900       2.576500       1.140600    
 O   -5.503900      -2.451500     -0.5018000    
 C   -3.104300      0.1067000     -8.6000003E-03
 C   -4.403000     -0.3016000     -0.6961000    
 C   -2.005300      0.6416000     -0.9194000    
 C  -0.7743000      0.5125000     -4.5800000E-02
 C   -5.164200       1.014900     -0.7219000    
 C   -2.349300     -0.9145000      0.8192000    
 C   0.5129000      0.3827000     -0.8382000    
 C   -4.688800       1.682800      0.5408000    
 C    1.730400      0.2937000      8.1900001E-02
 C   -5.159100      -1.396100      8.5000005E-03
 C    3.029300      0.1967000     -0.7217000    
 C    4.249100      0.1462000      0.2010000    
 C    5.582300      0.1211000     -0.5524000    
 C    6.802000      4.4799998E-02  0.3701000    
 C    8.102700      1.0500000E-02 -0.4372000    
 C    9.357900     -9.6400000E-02  0.4336000    
 C    10.65980     -5.7000000E-02 -0.3672000    
 C    11.87320     -0.1798000      0.5420000    
 H   -1.891500      1.3200000E-02  -1.810200    
 H   -2.159200       1.677600      -1.237200    
 H  -0.7052000       1.350400      0.6594000    
 H   -4.862600       1.633100      -1.574700    
 H   0.6208000       1.244100      -1.508200    
 H   0.4799000     -0.5200000      -1.461300    
 H    1.766000       1.179200      0.7282000    
 H    1.643700     -0.5811000      0.7373000    
 H   -5.044500     -0.8144000      -2.466200    
 H    3.113600       1.063000      -1.389100    
 H    3.009600     -0.6989000      -1.354100    
 H    4.236300       1.017300      0.8679000    
 H    4.180400     -0.7426000      0.8405000    
 H   -6.850700      0.4086000      4.5200001E-02
 H    5.590100     -0.7394000      -1.232900    
 H    5.656800       1.019600      -1.177600    
 H    6.734000     -0.8536000      0.9949000    
 H    6.809200      0.9094000       1.044300    
 H   -5.905000      -1.752700       1.771800    
 H    8.168200      0.9183000      -1.049900    
 H    8.078400     -0.8386000      -1.131600    
 H    9.313100      -1.028400       1.010700    
 H    9.359000      0.7254000       1.160700    
 H    10.67080     -0.8743000      -1.097200    
 H    10.72190      0.8820000     -0.9291000    
 H    12.79380     -0.1494000     -4.9100000E-02
 H    11.90640      0.6414000       1.265100    
 H    11.85550      -1.124600       1.094800    


%chk=000131944-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131944

0 1
O -3.704777 1.130790 1.023491
O -0.990296 -0.491009 0.771408
O -4.063736 -0.714351 -2.120349
O -6.798999 0.549720 -0.809261
O -2.744468 -1.907363 1.328189
O -5.660032 -1.321844 1.100902
O -5.707354 2.260394 1.367012
O -5.076803 -2.743596 -0.654444
C -3.157825 0.173413 -0.001557
C -4.415296 -0.382589 -0.762278
C -2.109629 0.889742 -0.862662
C -0.822661 0.806552 -0.008223
C -5.395390 0.837609 -0.673367
C -2.324397 -0.872771 0.784007
C 0.488831 0.725923 -0.785698
C -5.019945 1.516067 0.662062
C 1.741079 0.675691 0.117443
C -5.043366 -1.627577 -0.098367
C 3.047979 0.501029 -0.687038
C 4.306766 0.458540 0.208058
C 5.611079 0.213459 -0.583389
C 6.869836 0.169300 0.311891
C 8.170396 -0.111198 -0.474477
C 9.429581 -0.158043 0.420164
C 10.728444 -0.449353 -0.366045
C 11.981417 -0.496052 0.535059
H -1.988544 0.338281 -1.811328
H -2.390495 1.931755 -1.086237
H -0.795280 1.603743 0.757512
H -5.145601 1.504638 -1.518815
H 0.540382 1.610879 -1.453602
H 0.456883 -0.167407 -1.440541
H 1.799216 1.605543 0.720732
H 1.634012 -0.160528 0.835087
H -4.329810 -1.661156 -2.288685
H 3.147973 1.326986 -1.422592
H 2.989302 -0.436962 -1.277750
H 4.391036 1.411981 0.770303
H 4.186139 -0.340727 0.968781
H -7.163453 0.268775 0.069941
H 5.525195 -0.743313 -1.140069
H 5.733434 1.008168 -1.349103
H 6.737711 -0.611442 1.090107
H 6.969381 1.133180 0.853735
H -5.946310 -2.146282 1.577215
H 8.303866 0.668083 -1.254132
H 8.069640 -1.076024 -1.014704
H 9.295115 -0.933478 1.203387
H 9.536481 0.808411 0.956213
H 10.620385 -1.414700 -0.901801
H 10.861916 0.326032 -1.148130
H 12.895753 -0.704548 -0.050609
H 12.128187 0.467094 1.059624
H 11.885952 -1.284866 1.305132


