%chk=000054578.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054578

0 1
 O   0.4735000       2.491900     -0.4416000    
 C   -2.042000     -2.7999999E-03  2.3000001E-03
 C   0.2227000      -1.085900     -6.7699999E-02
 C   -1.263800      -1.181500     -5.4400001E-02
 C   0.8814000      0.1711000     -6.1999999E-02
 C   -1.449100       1.266600     -2.3300000E-02
 C    2.319500      0.2800000      1.1900000E-02
 C   1.6200000E-02   1.388500     -0.1744000    
 C   -3.460700     -7.4600004E-02  7.9300001E-02
 C    3.074900     -0.9187000      8.8999998E-03
 C    1.035000      -2.230900     -6.1200000E-02
 C   -1.950700      -2.413200     -6.1900001E-02
 C   -2.223800       2.433800      4.6999998E-02
 C    2.425600      -2.150300     -3.7000000E-02
 C   -4.093900      -1.319600      7.8900002E-02
 C   -4.223800       1.100300      0.1510000    
 C   -3.342600      -2.482700      2.0000001E-03
 C    3.076500       1.481600      0.1088000    
 C   -3.607900       2.347400      0.1394000    
 C    4.480100     -0.8968000      5.9200000E-02
 C    4.474600       1.493300      0.1630000    
 C    5.178100      0.3024000      0.1316000    
 H   0.6162000      -3.232700     -7.2099999E-02
 H   -1.425300      -3.362200     -0.1114000    
 H    2.994400      -3.078800     -3.7099998E-02
 H   -1.766000       3.419300      2.8999999E-02
 H   -5.177500      -1.396300      0.1337000    
 H   -5.309200       1.054700      0.2146000    
 H    2.599700       2.454000      0.1672000    
 H   -3.837200      -3.449700     -2.2000000E-03
 H   -4.207600       3.251000      0.1943000    
 H    5.048700      -1.825300      4.8700001E-02
 H    5.005400       2.438200      0.2352000    
 H    6.262700      0.3034000      0.1735000    


%chk=000054578-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054578

0 1
O 0.533126 2.637434 0.074253
C -2.061431 0.009607 0.030105
C 0.224134 -1.060042 0.013233
C -1.254207 -1.181526 0.008724
C 0.877234 0.212116 0.033833
C -1.444192 1.300886 0.053403
C 2.338267 0.280608 0.035326
C 0.043298 1.453883 0.054654
C -3.504629 -0.080293 0.027941
C 3.101062 -0.953432 0.017213
C 1.023128 -2.254652 -0.003245
C -1.918079 -2.427039 -0.016113
C -2.240092 2.461804 0.075019
C 2.407807 -2.205384 -0.001127
C -4.126966 -1.369706 0.003266
C -4.281318 1.122066 0.050289
C -3.338308 -2.521870 -0.018865
C 3.088378 1.507885 0.053241
C -3.657462 2.375395 0.073727
C 4.532397 -0.929086 0.017615
C 4.488395 1.503144 0.052889
C 5.225436 0.281920 0.035124
H 0.538413 -3.233124 -0.017055
H -1.351734 -3.361376 -0.034708
H 2.992789 -3.132843 -0.013511
H -1.729220 3.429502 0.092463
H -5.220921 -1.437776 0.001782
H -5.375094 1.045175 0.048744
H 2.539368 2.449084 0.067165
H -3.807113 -3.511181 -0.038583
H -4.258231 3.290487 0.090809
H 5.073447 -1.882762 0.003808
H 5.025663 2.458176 0.066462
H 6.320751 0.298420 0.035318


