%chk=000068776.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068776

0 1
 O  -0.8194000     -0.3105000      -1.724000    
 O  -0.3292000       2.591300       1.144700    
 O   -1.005400       2.408300      -1.024300    
 C  -0.4923000     -0.5265000     -0.3408000    
 C   -1.265000      0.5344000      0.4879000    
 C   -1.007000      -1.943200      1.9900000E-02
 C   -2.785200      0.3986000      0.3282000    
 C   -2.524600      -2.070200     -0.1350000    
 C   -3.261600      -1.008600      0.6744000    
 C    1.020900     -0.4257000     -0.1204000    
 C  -0.8677000       1.929500      9.1600001E-02
 C    1.550700     -0.6451000       1.147700    
 C    1.855600     -0.1149000      -1.189600    
 C    2.928000     -0.5528000       1.348400    
 C    3.233000     -2.2800000E-02 -0.9889000    
 C    3.769000     -0.2418000      0.2801000    
 H   -1.037100      0.4002000       1.554400    
 H  -0.7421000      -2.208700       1.050500    
 H  -0.5329000      -2.687900     -0.6325000    
 H   -3.111000      0.6644000     -0.6848000    
 H   -3.285800       1.115600      0.9920000    
 H   -2.836700      -3.064000      0.2080000    
 H   -2.815000      -2.009300      -1.189700    
 H   -4.339400      -1.088600      0.4938000    
 H   -3.104500      -1.192700       1.744500    
 H   -1.777100     -0.3623000      -1.859300    
 H   0.9160000     -0.8842000       1.995700    
 H    1.474300      6.4199999E-02  -2.190100    
 H    3.345500     -0.7221000       2.336700    
 H    3.888400      0.2201000      -1.820200    
 H  -6.0699999E-02   3.503900      0.9053000    
 H    4.841300     -0.1695000      0.4364000    


%chk=000068776-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068776

0 1
O -0.866802 -0.216310 -1.759066
O -0.857491 2.685852 1.471259
O -0.705169 2.425486 -0.822034
C -0.530954 -0.496086 -0.352032
C -1.335856 0.485825 0.576991
C -1.001768 -1.952942 -0.097989
C -2.874235 0.322922 0.366248
C -2.527406 -2.119840 -0.265177
C -3.303283 -1.135792 0.638909
C 0.992938 -0.395917 -0.125063
C -0.930923 1.920499 0.309650
C 1.553770 -0.271859 1.172992
C 1.869841 -0.500925 -1.234163
C 2.954665 -0.241555 1.355416
C 3.270195 -0.471085 -1.053620
C 3.820112 -0.339637 0.242230
H -1.115072 0.259808 1.634706
H -0.689110 -2.250800 0.922438
H -0.458929 -2.604374 -0.807224
H -3.124863 0.593468 -0.676364
H -3.409569 1.019162 1.039160
H -2.813341 -3.163169 -0.030572
H -2.790418 -1.931748 -1.322585
H -4.392318 -1.235318 0.468375
H -3.120593 -1.382006 1.705958
H -0.730521 0.764415 -1.901901
H 0.907515 -0.199778 2.055613
H 1.435755 -0.604569 -2.233561
H 3.368705 -0.141156 2.365329
H 3.931996 -0.551039 -1.923741
H -0.610462 3.622810 1.237289
H 4.906591 -0.315241 0.383130


