%chk=000077313.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077313

0 1
 O   -2.633000     -0.2562000     -0.5477000    
 O   -1.837900      0.9036000       1.285200    
 C  -0.4467000      0.5740000     -0.6547000    
 C   2.6200000E-02 -0.8137000      -1.096500    
 C   0.5556000       1.460900      9.0200000E-02
 C   0.4593000      -1.794100     -6.3000000E-03
 C    1.953600       1.513400     -0.5284000    
 C    1.650700      -1.406900      0.8682000    
 C    3.004600      0.6759000      0.2022000    
 C    2.853800     -0.8438000      0.1124000    
 C   -1.700700      0.4432000      0.1599000    
 C   -3.885400     -0.4564000      0.1154000    
 H  -0.7312000       1.124400      -1.563300    
 H   0.8387000     -0.7016000      -1.823100    
 H  -0.7709000      -1.304400      -1.671400    
 H   0.6197000       1.213900       1.155100    
 H   0.1489000       2.482800      7.4199997E-02
 H   0.7076000      -2.740900     -0.5050000    
 H  -0.3931000      -2.021900      0.6453000    
 H    2.295300       2.556100     -0.4751000    
 H    1.934200       1.266500      -1.595500    
 H    1.972900      -2.323600       1.381000    
 H    1.336600     -0.7354000       1.673100    
 H    3.045500      0.9780000       1.256400    
 H    3.983900      0.9348000     -0.2212000    
 H    3.756400      -1.273100      0.5681000    
 H    2.867400      -1.173900     -0.9320000    
 H   -4.357000      0.5067000      0.3329000    
 H   -3.738900      -1.031900       1.034400    
 H   -4.537600      -1.023700     -0.5539000    


%chk=000077313-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000077313

0 1
O -2.848391 0.074200 -0.631780
O -1.778828 0.207964 1.430624
C -0.471644 0.474260 -0.670359
C 0.110268 -0.917983 -1.081834
C 0.508371 1.443720 0.049828
C 0.569150 -1.878938 0.039827
C 1.929500 1.537015 -0.576698
C 1.758631 -1.419312 0.926832
C 3.041132 0.748279 0.166687
C 2.965315 -0.802144 0.161194
C -1.718749 0.258974 0.179764
C -4.114453 -0.210261 0.085911
H -0.806430 0.946185 -1.614845
H 0.955896 -0.728794 -1.770444
H -0.663817 -1.432299 -1.685252
H 0.581138 1.163533 1.114935
H 0.037823 2.446643 0.036679
H 0.857526 -2.827966 -0.458229
H -0.287754 -2.124903 0.698198
H 2.238843 2.601130 -0.582818
H 1.902852 1.230075 -1.642437
H 2.103829 -2.309107 1.490103
H 1.403898 -0.704624 1.692493
H 3.059711 1.090073 1.222943
H 4.017570 1.044122 -0.270420
H 3.904191 -1.171718 0.620033
H 2.978162 -1.172744 -0.884811
H -4.370837 0.627829 0.755740
H -4.017907 -1.131666 0.684900
H -4.866495 -0.328842 -0.706864


