%chk=000080215.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080215

0 1
 O    1.642200      0.2201000     -0.9343000    
 O    2.195600     -0.2035000       1.283900    
 O   -4.060400     -0.6890000      0.4251000    
 O   -2.639900      -2.215200     -0.2615000    
 N   -2.913400      -1.030300      4.7699999E-02
 N    3.754800     -0.5029000     -0.4077000    
 C   0.3903000      0.5669000     -0.5276000    
 C   -1.893800     -4.5400001E-02 -3.2099999E-02
 C  -0.6111000     -0.4010000     -0.4490000    
 C   0.1089000       1.890500     -0.1891000    
 C   -2.175200       1.278200      0.3065000    
 C   -1.173700       2.246100      0.2281000    
 C    2.515100     -0.1714000      9.9200003E-02
 C    4.860500     -0.9431000      0.4108000    
 H  -0.3625000      -1.424600     -0.7199000    
 H   0.8842000       2.649600     -0.2485000    
 H   -3.162600       1.591900      0.6353000    
 H   -1.392200       3.276800      0.4915000    
 H    3.897700     -0.4337000      -1.410600    
 H    5.164600      -1.935100      6.8099998E-02
 H    4.583700     -0.9842000       1.466900    
 H    5.687900     -0.2432000      0.2711000    


%chk=000080215-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080215

0 1
O 1.527463 -0.479218 -0.152771
O 3.012506 1.212974 0.666139
O -4.446947 -0.275409 -0.510569
O -3.070989 -1.998114 -1.090922
N -3.277876 -0.808357 -0.634057
N 3.744688 -0.866789 -0.150050
C 0.297703 0.196351 0.030411
C -2.099044 -0.000998 -0.224895
C -0.819810 -0.572413 -0.357460
C 0.140651 1.509913 0.541733
C -2.301191 1.302738 0.278873
C -1.164110 2.043021 0.657594
C 2.807982 0.078175 0.175896
C 5.179929 -0.642663 0.049260
H -0.699379 -1.583857 -0.751284
H 1.016101 2.088984 0.837796
H -3.314484 1.701923 0.362652
H -1.286256 3.056652 1.052317
H 3.407552 -1.746358 -0.542728
H 5.604225 -1.383726 0.750666
H 5.314864 0.364035 0.474407
H 5.727124 -0.699364 -0.909110


