%chk=000022462.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022462

0 1
 O  -0.7587000      -2.007200     -0.4266000    
 O  -0.4411000       2.559500       1.241100    
 C   -2.908300      -1.018800      0.2843000    
 C   -2.194300      0.2325000      0.8626000    
 C   -1.958000      -2.247000      0.3288000    
 C   -3.446300     -0.7099000      -1.131700    
 C  -0.7586000      0.3106000      0.3684000    
 C   -4.427800      0.4636000      -1.126400    
 C   -2.987400       1.497600      0.6196000    
 C   -3.998400       1.610300     -0.2571000    
 C  -0.1459000     -0.7968000     -0.2372000    
 C   -2.607500      -3.486700     -0.3127000    
 C   -1.575500      -2.637700       1.772100    
 C   1.3900000E-02   1.470600      0.5564000    
 C    1.170800     -0.7190000     -0.7060000    
 C   -4.775700       2.884300     -0.4121000    
 C    1.907700      0.4500000     -0.5390000    
 C    1.332200       1.541900      0.1007000    
 C    3.313500      0.5247000      -1.029600    
 C    4.370300      7.3799998E-02 -4.4000000E-03
 C    5.803700      0.2277000     -0.5223000    
 C    6.822800     -0.2054000      0.5324000    
 C    8.248600     -1.8700000E-02  3.8600001E-02
 H   -3.781500      -1.237600      0.9172000    
 H   -2.142000      0.1063000       1.953100    
 H   -3.971700      -1.574900      -1.549900    
 H   -2.618700     -0.4857000      -1.816100    
 H   -5.406500      0.1125000     -0.7758000    
 H   -4.562600      0.8070000      -2.159100    
 H   -2.777100       2.350500       1.259000    
 H   -3.585900      -3.703500      0.1282000    
 H   -2.720400      -3.370100      -1.395700    
 H   -1.970700      -4.370500     -0.1840000    
 H   -1.005500      -1.855800       2.282800    
 H   -2.464200      -2.861800       2.371400    
 H  -0.9259000      -3.521300       1.774100    
 H    1.622100      -1.583700      -1.188000    
 H   -5.834400       2.711200     -0.1934000    
 H   -4.688900       3.259300      -1.437000    
 H   -4.420600       3.671500      0.2613000    
 H    1.918900       2.444900      0.2546000    
 H    3.414500     -7.9400003E-02  -1.941100    
 H    3.531700       1.554000      -1.344200    
 H    4.189300     -0.9739000      0.2675000    
 H    4.253600      0.6598000      0.9164000    
 H   0.2458000       3.247100       1.265900    
 H    5.932300     -0.3731000      -1.430600    
 H    5.981300       1.274300     -0.7980000    
 H    6.665200      -1.258700      0.7916000    
 H    6.682100      0.3792000       1.449000    
 H    8.448100       1.031700     -0.1967000    
 H    8.960500     -0.3357000      0.8072000    
 H    8.432900     -0.6138000     -0.8615000    


%chk=000022462-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000022462

0 1
O -0.793923 -1.963841 -0.499548
O -0.521805 2.478539 1.521824
C -2.951211 -1.023473 0.277398
C -2.259403 0.239131 0.883205
C -2.003816 -2.255956 0.350849
C -3.444909 -0.727918 -1.161072
C -0.786882 0.330270 0.439864
C -4.506126 0.390411 -1.162291
C -3.063359 1.503144 0.573252
C -4.090008 1.581906 -0.315397
C -0.154766 -0.735339 -0.259654
C -2.590456 -3.527995 -0.280605
C -1.530326 -2.547864 1.793291
C 0.031914 1.458183 0.711951
C 1.163401 -0.634482 -0.764694
C -4.880304 2.860897 -0.516278
C 1.926510 0.529601 -0.541432
C 1.352288 1.574344 0.225043
C 3.358990 0.633806 -1.044234
C 4.402846 0.138522 -0.004331
C 5.855236 0.230037 -0.522356
C 6.900510 -0.260334 0.505685
C 8.349496 -0.174706 -0.021432
H -3.838137 -1.249188 0.905156
H -2.263016 0.141110 1.990967
H -3.874905 -1.637036 -1.617884
H -2.583056 -0.426518 -1.785734
H -5.477815 -0.002942 -0.790743
H -4.698652 0.725336 -2.202415
H -2.771346 2.390894 1.143410
H -3.556092 -3.782990 0.192501
H -2.746905 -3.402010 -1.363554
H -1.896000 -4.373813 -0.137478
H -0.972258 -1.700231 2.223923
H -2.398962 -2.757984 2.444464
H -0.867152 -3.430145 1.798839
H 1.575712 -1.485508 -1.316307
H -5.962672 2.693325 -0.343027
H -4.781485 3.231128 -1.556721
H -4.544926 3.661393 0.165772
H 1.940226 2.477144 0.443045
H 3.474709 0.038503 -1.970928
H 3.593293 1.684625 -1.307931
H 4.169174 -0.910013 0.269089
H 4.299907 0.732678 0.926357
H 0.139325 3.203937 1.645767
H 5.951589 -0.366390 -1.453996
H 6.082218 1.280586 -0.802270
H 6.669599 -1.307823 0.787770
H 6.806731 0.338837 1.434344
H 8.614779 0.866838 -0.284567
H 9.077101 -0.528785 0.731971
H 8.476818 -0.792138 -0.930758


