%chk=000094197.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094197

0 1
 O    5.604600       1.085300      0.1448000    
 O   -2.128800      -2.245500     -0.4294000    
 C    1.780300     -0.5016000     -0.1456000    
 C   -3.245600     -0.2185000     -4.4100001E-02
 C    1.982200      0.8676000     -0.3180000    
 C    2.863600      -1.337900      0.1243000    
 C   0.4405000      -1.058400     -0.2468000    
 C    4.350900      0.5646000      4.9500000E-02
 C    3.267600       1.400800     -0.2207000    
 C    4.149000     -0.8048000      0.2220000    
 C   -2.025300      -1.040900     -0.2261000    
 C  -0.7073000     -0.3549000     -0.1204000    
 C   -3.213900       1.114200     -0.4039000    
 C   -4.378500     -0.8095000      0.4796000    
 C   -4.361800       1.887800     -0.2329000    
 C   -5.526500     -3.5799999E-02  0.6504000    
 C   -5.518200       1.312900      0.2942000    
 C    6.667000      0.1743000      0.4229000    
 H    1.173400       1.554100     -0.5508000    
 H    2.724400      -2.407500      0.2630000    
 H   0.3941000      -2.126600     -0.4469000    
 H    3.420000       2.467600     -0.3605000    
 H    4.944900      -1.510400      0.4341000    
 H  -0.6895000      0.6964000      0.1349000    
 H   -2.349900       1.590400     -0.8551000    
 H   -4.399200      -1.856700      0.7662000    
 H   -4.358900       2.935700     -0.5189000    
 H   -6.426800     -0.4831000       1.061400    
 H   -6.412700       1.914700      0.4255000    
 H    6.788200     -0.5599000     -0.3807000    
 H    6.544600     -0.2993000       1.402900    
 H    7.591800      0.7590000      0.4639000    


%chk=000094197-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094197

0 1
O 5.798290 1.022613 -0.004432
O -2.093554 -2.210343 0.315463
C 1.807283 -0.425155 0.114709
C -3.316666 -0.146635 0.080994
C 2.123017 0.967223 0.020305
C 2.893152 -1.344101 0.170459
C 0.441552 -0.943997 0.156875
C 4.516050 0.469684 0.040065
C 3.449959 1.409866 -0.016330
C 4.235240 -0.917219 0.134151
C -2.036696 -0.940690 0.174076
C -0.733951 -0.235783 0.106609
C -3.365312 1.246968 -0.197074
C -4.538924 -0.847714 0.273533
C -4.604498 1.918998 -0.279160
C -5.774799 -0.177609 0.196163
C -5.812214 1.210933 -0.080642
C 6.942361 0.105381 0.048604
H 1.317071 1.707415 -0.023466
H 2.675317 -2.416474 0.243707
H 0.330801 -2.036005 0.239962
H 3.697991 2.473099 -0.088080
H 5.039942 -1.656673 0.178742
H -0.727515 0.855627 0.027772
H -2.446097 1.817285 -0.363335
H -4.481178 -1.921445 0.480506
H -4.628723 2.992083 -0.499145
H -6.707957 -0.730770 0.349729
H -6.772724 1.734884 -0.142875
H 6.937111 -0.590140 -0.812412
H 6.950227 -0.469840 0.994245
H 7.829645 0.752635 -0.000921


