%chk=000050251.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050251

0 1
 O   0.2039000       2.359700      0.5576000    
 O    1.752500       2.669000      -1.690100    
 O   -4.048600       1.271100       2.345300    
 O    5.187300      0.4743000      0.7283000    
 C   8.9999998E-04  0.4840000      -1.519000    
 C   -1.101400      0.6561000     -0.5168000    
 C    1.380000      0.4329000     -0.9011000    
 C   -2.273400     -0.1148000     -0.5828000    
 C    1.820300     -0.7088000     -0.2250000    
 C   -3.287100      8.2500003E-02  0.3850000    
 C    3.118900     -0.7109000      0.3375000    
 C  -0.9311000       1.608100      0.4888000    
 C    2.185500       1.557500      -1.030800    
 C   -3.098700       1.045100       1.390100    
 C    3.927600      0.4295000      0.2023000    
 C   -2.461600      -1.077300      -1.588100    
 C    1.011400      -1.848800     -8.9900002E-02
 C   -1.927900       1.802200       1.440400    
 C    3.462600       1.555500     -0.4776000    
 C   -4.459100     -0.6884000      0.3187000    
 C    3.570400      -1.853000       1.018700    
 C   -3.632600      -1.834100      -1.638800    
 C    1.476300      -2.974700      0.5905000    
 C   -4.629500      -1.639900     -0.6872000    
 C    2.753300      -2.976800       1.143800    
 H  -6.8400003E-02 -0.3989000      -2.156000    
 H  -8.9500003E-02   1.309000      -2.238200    
 H   -1.746200      -1.277700      -2.376200    
 H   1.6700000E-02  -1.919400     -0.5107000    
 H   -1.801400       2.542500       2.226800    
 H    4.104100       2.428600     -0.5708000    
 H   -5.276800     -0.5694000       1.023800    
 H    4.562600      -1.917600       1.456200    
 H   -3.769100      -2.572000      -2.424200    
 H   0.8428000      -3.852000      0.6843000    
 H   -5.542600      -2.226600     -0.7306000    
 H    3.115600      -3.855700       1.669300    
 H   0.1434000       2.960100       1.320200    
 H    2.452400       3.344000      -1.671100    
 H   -4.571800      0.4692000       2.498500    
 H    5.252600     -0.1088000       1.500300    


%chk=000050251-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050251

0 1
O -0.010663 2.566421 0.662940
O 2.030249 2.666073 -1.935621
O -4.200730 1.062314 2.508283
O 5.439805 0.315205 0.535267
C 0.013081 0.761431 -1.482615
C -1.128727 0.762069 -0.464469
C 1.423949 0.563186 -0.925783
C -2.280602 -0.104034 -0.559596
C 1.826802 -0.607699 -0.189712
C -3.351656 -0.035276 0.426318
C 3.179656 -0.737907 0.329182
C -1.102225 1.684681 0.597532
C 2.398208 1.546369 -1.163996
C -3.233314 0.918142 1.500105
C 4.111581 0.331208 0.074561
C -2.433915 -1.072961 -1.614684
C 0.921505 -1.698733 0.054901
C -2.130807 1.763133 1.579125
C 3.730517 1.443873 -0.669726
C -4.486313 -0.901896 0.309240
C 3.550889 -1.913801 1.058787
C -3.550442 -1.906250 -1.701970
C 1.312655 -2.835314 0.764480
C -4.594283 -1.825385 -0.731058
C 2.640299 -2.948533 1.279331
H -0.174534 -0.002604 -2.257141
H 0.012602 1.733993 -2.005924
H -1.660592 -1.157142 -2.383332
H -0.101231 -1.636155 -0.322391
H -2.076151 2.482147 2.404705
H 4.472253 2.227606 -0.862614
H -5.305332 -0.853927 1.041103
H 4.569441 -2.029980 1.456362
H -3.628286 -2.627063 -2.523246
H 0.596134 -3.647592 0.928915
H -5.469393 -2.478900 -0.805701
H 2.940857 -3.841690 1.837062
H -0.084837 3.156473 1.453371
H 2.763349 3.328426 -1.959606
H -4.933031 0.407566 2.401037
H 5.627534 -0.502173 1.057978


