%chk=000095173.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095173

0 1
 O    2.976400     -0.7824000      0.2737000    
 O    3.754000       1.264300     -0.4790000    
 C   -1.209000     -0.1069000      0.4135000    
 C   -2.642600      0.1962000     -1.8100001E-02
 C  -0.6928000      -1.377600     -0.2761000    
 C  -0.2908000       1.087800      0.1203000    
 C   0.7572000      -1.670300      9.7999997E-02
 C    1.158100      0.7882000      0.4929000    
 C    1.666200     -0.4787000     -0.1922000    
 C   -3.152700       1.447400      0.7167000    
 C   -2.686800      0.4472000      -1.534800    
 C   -3.551400     -0.9964000      0.3238000    
 C    3.914200      0.1812000      6.1400000E-02
 H   -1.190000     -0.2846000       1.498600    
 H  -0.7281000      -1.298500      -1.366300    
 H   -1.282600      -2.254500      7.7999998E-03
 H  -0.5952000       1.971800      0.6894000    
 H  -0.2957000       1.362200     -0.9384000    
 H   0.8220000      -1.935000       1.161600    
 H    1.117100      -2.551500     -0.4472000    
 H    1.734800       1.682800      0.2524000    
 H    1.242500      0.6724000       1.581900    
 H    1.706800     -0.3266000      -1.279200    
 H   -2.999400       1.365700       1.798600    
 H   -4.228300       1.582700      0.5502000    
 H   -2.673800       2.367500      0.3674000    
 H   -2.389500     -0.4169000      -2.133900    
 H   -2.107100       1.316200      -1.855500    
 H   -3.721500      0.6638000      -1.833400    
 H   -3.364000      -1.866900     -0.3129000    
 H   -4.606200     -0.7343000      0.1771000    
 H   -3.434900      -1.300500       1.370000    
 H    4.875400     -0.1722000      0.4650000    


%chk=000095173-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095173

0 1
O 3.071432 -0.697762 0.520251
O 4.169105 0.766172 -0.952433
C -1.225145 -0.071947 0.335634
C -2.731195 0.190767 -0.057428
C -0.599806 -1.311946 -0.363415
C -0.294008 1.153665 0.117921
C 0.839487 -1.595367 0.136078
C 1.148259 0.881936 0.617655
C 1.724374 -0.362969 -0.074006
C -3.272044 1.420033 0.727405
C -2.906072 0.453008 -1.578610
C -3.597832 -1.038138 0.341201
C 4.175385 -0.060585 -0.016601
H -1.231510 -0.283754 1.430341
H -0.576882 -1.147149 -1.459834
H -1.217019 -2.211137 -0.188439
H -0.685249 2.041175 0.646395
H -0.261407 1.411117 -0.960428
H 0.822842 -1.842487 1.215658
H 1.271383 -2.464320 -0.394213
H 1.793863 1.756904 0.419195
H 1.139213 0.708106 1.711917
H 1.879782 -0.157836 -1.151204
H -3.087003 1.313977 1.813927
H -4.364001 1.517473 0.578660
H -2.808846 2.364735 0.391286
H -2.600450 -0.419930 -2.183770
H -2.318853 1.326763 -1.916053
H -3.968668 0.659586 -1.807272
H -3.336822 -1.939856 -0.241153
H -4.668080 -0.826104 0.158308
H -3.478994 -1.277216 1.415619
H 5.077062 -0.413315 0.520707


