%chk=000080223.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080223

0 1
 O  -0.6729000      0.7368000     -0.1245000    
 O    1.400600     -0.3841000     -6.2700003E-02
 N   -1.098600      -2.621700     -0.2572000    
 C   5.6499999E-02 -0.3611000      0.4329000    
 C   -2.022900      0.7844000      0.3201000    
 C    2.116500      0.8014000      0.2605000    
 C   -2.711000       1.971800     -0.3188000    
 C    3.520200      0.6971000     -0.2965000    
 C  -0.5886000      -1.624600      4.6200000E-02
 H   8.5000001E-02 -0.2660000       1.525500    
 H   -2.572300     -0.1177000      3.3799998E-02
 H   -2.047400      0.8861000       1.410900    
 H    1.622300       1.675700     -0.1764000    
 H    2.157500      0.9224000       1.348600    
 H   -3.752200       2.043700      8.1000002E-03
 H   -2.194700       2.902000     -5.9200000E-02
 H   -2.688200       1.889400      -1.410500    
 H    4.101100       1.594000     -6.3699998E-02
 H    4.035800     -0.1753000      0.1185000    
 H    3.495000      0.5646000      -1.383200    


%chk=000080223-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080223

0 1
O -0.752465 0.616212 -0.302951
O 1.386023 -0.377900 -0.171074
N -0.976141 -2.853134 -0.243977
C 0.048105 -0.442229 0.323715
C -2.061493 0.834188 0.359185
C 2.111683 0.847311 0.268721
C -2.716029 2.030979 -0.326876
C 3.539145 0.718123 -0.253100
C -0.489326 -1.791920 -0.004596
H 0.010310 -0.304879 1.435466
H -2.686432 -0.076517 0.251776
H -1.900530 1.025177 1.443235
H 1.596682 1.732569 -0.146122
H 2.084306 0.899533 1.379219
H -3.704816 2.233204 0.123049
H -2.091003 2.934301 -0.221563
H -2.855602 1.828539 -1.402167
H 4.130988 1.605804 0.035287
H 4.028468 -0.180817 0.158682
H 3.539824 0.640355 -1.353509


