%chk=000158982.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158982

0 1
 O    1.886300      0.1090000     -0.4674000    
 O   0.5937000      -2.226600      0.3119000    
 O   -3.570000      9.5600002E-02  0.3212000    
 C    2.652200       1.000200      0.3409000    
 C   0.5387000      9.6100003E-02 -0.2686000    
 C    3.634200      0.1966000       1.179700    
 C    3.361200       2.004800     -0.5546000    
 C  -0.1096000      -1.075400      0.1224000    
 C  -0.1936000       1.267700     -0.4609000    
 C   -1.490100      -1.075500      0.3210000    
 C   -2.222600      9.6000001E-02  0.1286000    
 C   -1.574300       1.267500     -0.2623000    
 C   0.7511000      -3.083400     -0.8175000    
 C   -4.257000       1.327300      0.1056000    
 H    2.010600       1.556100       1.038300    
 H    4.243400      0.8471000       1.814400    
 H    3.098700     -0.5136000       1.819100    
 H    4.299900     -0.3952000      0.5418000    
 H    3.963600       2.704800      3.2400001E-02
 H    2.641100       2.578700      -1.146300    
 H    4.016600       1.494300      -1.269100    
 H   0.2923000       2.186500     -0.7758000    
 H   -1.996500      -1.987900      0.6260000    
 H   -2.081900       2.210900     -0.4317000    
 H    1.286100      -2.567400      -1.621000    
 H  -0.2240000      -3.428400      -1.175900    
 H    1.338100      -3.952700     -0.5088000    
 H   -5.318200       1.144400      0.3041000    
 H   -4.178700       1.654800     -0.9366000    
 H   -3.928800       2.099700      0.8093000    


%chk=000158982-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158982

0 1
O 1.826863 -0.231643 0.343687
O 0.157624 -2.516664 0.188118
O -3.796903 0.135859 -0.099134
C 2.721566 0.950009 0.486220
C 0.440930 -0.030428 0.183689
C 3.989852 0.407441 1.153967
C 2.994752 1.587335 -0.888712
C -0.364633 -1.213358 0.093567
C -0.199352 1.227821 0.154009
C -1.762894 -1.103652 0.002488
C -2.391929 0.164250 -0.006495
C -1.608450 1.337853 0.062456
C 1.225027 -2.893093 -0.760176
C -4.488107 1.423813 -0.114529
H 2.231209 1.678814 1.164681
H 4.712732 1.225593 1.324992
H 3.747540 -0.059674 2.123350
H 4.467925 -0.353295 0.511705
H 3.637169 2.479910 -0.774524
H 2.062066 1.893702 -1.392082
H 3.516924 0.865816 -1.541863
H 0.386745 2.148917 0.220067
H -2.364575 -2.014373 -0.053955
H -2.064077 2.331813 0.050104
H 2.119102 -2.264184 -0.619465
H 0.860529 -2.808941 -1.802945
H 1.450188 -3.945608 -0.528914
H -5.557495 1.177426 -0.191991
H -4.183772 2.037078 -0.986217
H -4.304055 1.993464 0.818101