%chk=000012198.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012198

0 1
 O   -1.267900     -0.2171000      0.4984000    
 O    1.436100     -9.9200003E-02 -0.1914000    
 O   -3.423700      0.5423000      0.1624000    
 O    3.443800      0.4928000      0.7862000    
 C  -0.6806000       1.003900      5.1100001E-02
 C   0.7911000      0.9993000      0.4445000    
 C  -0.8535000       1.109700      -1.456400    
 C   -2.601000     -0.3600000      0.2401000    
 C    2.770900     -0.2348000      6.8499997E-02
 C   -2.927700      -1.811400      5.9599999E-02
 C    3.312400      -1.425600     -0.6627000    
 H   -1.170900       1.847800      0.5517000    
 H    1.270600       1.937800      0.1429000    
 H   0.8800000      0.8761000       1.530500    
 H   -1.898200       1.274900      -1.737700    
 H  -0.2765000       1.949000      -1.858700    
 H  -0.5345000      0.1924000      -1.964000    
 H   -2.693400      -2.360800      0.9748000    
 H   -2.365800      -2.214700     -0.7867000    
 H   -3.996100      -1.919700     -0.1484000    
 H    3.181900      -1.290000      -1.739300    
 H    2.803300      -2.331300     -0.3239000    
 H    4.380800      -1.526400     -0.4512000    


%chk=000012198-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000012198

0 1
O -1.350532 -0.423847 0.089198
O 1.552038 -0.095405 -0.338953
O -3.427073 0.645772 0.084658
O 3.304166 0.303355 1.143691
C -0.678195 0.896158 -0.169387
C 0.698558 0.808994 0.475965
C -0.672414 1.180607 -1.676568
C -2.748604 -0.402194 0.183617
C 2.863134 -0.270095 0.122775
C -3.279724 -1.799248 0.417790
C 3.615030 -1.226462 -0.776349
H -1.266358 1.670804 0.360751
H 1.171532 1.807896 0.512093
H 0.633452 0.412892 1.504263
H -1.706470 1.272251 -2.047873
H -0.147842 2.131849 -1.882550
H -0.154218 0.373435 -2.218113
H -2.820441 -2.236876 1.320721
H -3.014872 -2.450958 -0.432988
H -4.372540 -1.765233 0.532880
H 3.629058 -0.846042 -1.812325
H 3.108900 -2.207124 -0.793418
H 4.644518 -1.345529 -0.409576


