%chk=000040185.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040185

0 1
 O    3.447200      0.5018000      -1.008900    
 O   -2.699500       1.562300     -0.1097000    
 N   -1.636000     -0.2558000     -0.2213000    
 N   -2.212300      0.6419000      0.5576000    
 C   0.7838000      2.1299999E-02  5.4900002E-02
 C    2.058800     -0.5975000      0.6256000    
 C  -0.4320000     -0.8592000      0.3382000    
 C    3.271400      0.2924000      0.3858000    
 C   -2.581500      -1.307300     -0.6223000    
 H   0.6411000       1.015700      0.4965000    
 H   0.8872000      0.1618000      -1.028400    
 H    2.224300      -1.571800      0.1500000    
 H    1.945600     -0.7694000       1.702100    
 H  -0.5348000      -1.057100       1.414400    
 H  -0.2338000      -1.832600     -0.1318000    
 H    3.143900       1.267800      0.8652000    
 H    4.178700     -0.1701000      0.7867000    
 H   -2.128500      -1.968800      -1.370300    
 H   -3.474500     -0.8809000      -1.097000    
 H   -2.905300      -1.919000      0.2292000    
 H    3.575700     -0.3690000      -1.422100    


%chk=000040185-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040185

0 1
O 3.352865 -0.326467 -1.379608
O -3.774858 0.496421 0.707398
N -1.784615 -0.483668 0.279199
N -2.626763 0.158094 1.180382
C 0.701130 -0.073624 0.132301
C 2.062971 -0.430295 0.766666
C -0.458328 -0.838164 0.809842
C 3.250740 0.183007 0.000240
C -2.175394 -0.778159 -1.108103
H 0.520328 1.015045 0.225243
H 0.742939 -0.306564 -0.948893
H 2.186848 -1.534147 0.806235
H 2.094048 -0.072956 1.816550
H -0.493926 -0.610469 1.890640
H -0.299601 -1.930413 0.694031
H 3.113889 1.270969 -0.122219
H 4.198028 0.009200 0.553045
H -1.680829 -0.093468 -1.821458
H -3.267039 -0.635101 -1.180751
H -1.906881 -1.818799 -1.361440
H 3.563947 -1.293942 -1.344900


