%chk=000047801.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047801

0 1
 O    4.638200     -0.7798000     -0.6553000    
 O    3.042900      -1.547100      0.7572000    
 C   0.7496000      0.5838000      0.5097000    
 C    2.621800      0.5773000     -0.5007000    
 C    2.033000       1.430300      0.6422000    
 C    1.169400      0.3157000     -0.9507000    
 C  -0.5449000       1.356300      0.6704000    
 C    3.423800     -0.6971000     -4.4199999E-02
 C   -1.739000      0.5488000      0.2868000    
 C   -2.201500      0.5688000      -1.029000    
 C   -2.393200     -0.2263000       1.244500    
 C   -3.318100     -0.1868000      -1.387300    
 C   -3.509800     -0.9816000      0.8861000    
 C   -3.972200     -0.9622000     -0.4298000    
 H   0.7729000     -0.3156000       1.140400    
 H    3.190400       1.173200      -1.225600    
 H    2.541400       1.361200       1.608200    
 H    1.921300       2.489700      0.3819000    
 H   0.8140000       1.047300      -1.686200    
 H   0.9545000     -0.6895000      -1.324800    
 H  -0.5270000       2.281500      7.8699999E-02
 H  -0.6477000       1.687500       1.712100    
 H   -1.706000       1.171500      -1.785100    
 H   -2.041600     -0.2520000       2.272600    
 H    5.135400      -1.576300     -0.3713000    
 H   -3.678900     -0.1706000      -2.411500    
 H   -4.018900      -1.585600       1.631500    
 H   -4.841600      -1.550400     -0.7088000    


%chk=000047801-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047801

0 1
O 4.447534 -0.985315 -0.957232
O 3.497753 -1.149965 1.153880
C 0.731120 0.646005 0.543201
C 2.730027 0.609539 -0.409394
C 2.080408 1.414715 0.769028
C 1.270131 0.164893 -0.848483
C -0.580044 1.458698 0.575713
C 3.561358 -0.562197 0.049104
C -1.800089 0.620409 0.216980
C -2.401403 0.709184 -1.064500
C -2.342644 -0.299287 1.153420
C -3.511915 -0.097613 -1.404965
C -3.452062 -1.106634 0.819324
C -4.041089 -1.009656 -0.463652
H 0.660774 -0.209675 1.238880
H 3.289647 1.179988 -1.165632
H 2.557887 1.294733 1.754030
H 1.997031 2.488428 0.522805
H 0.907953 0.794264 -1.680587
H 1.126816 -0.894216 -1.114162
H -0.486111 2.313459 -0.123233
H -0.697602 1.886397 1.592081
H -2.001116 1.420303 -1.798239
H -1.895115 -0.377403 2.152610
H 4.946925 -1.784196 -0.633229
H -3.964707 -0.011990 -2.399518
H -3.859806 -1.807025 1.557336
H -4.903463 -1.633843 -0.723565


