%chk=000061328.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000061328

0 1
 O   -1.481200      -1.116000     -0.4910000    
 O   -2.914600     -0.2861000       1.113200    
 O    4.164500     -0.8514000      3.3599999E-02
 N   -3.100000       2.001600     -0.4228000    
 C  -0.7326000       1.944900      0.2072000    
 C   -1.873000       1.207500     -0.5076000    
 C   0.5786000       1.196100      0.1605000    
 C   -2.163400     -0.1263000      0.1594000    
 C   0.8832000      0.2991000       1.171100    
 C    1.450700       1.421200     -0.8920000    
 C    2.094100     -0.3921000       1.128000    
 C    2.661400      0.7299000     -0.9351000    
 C    2.983200     -0.1769000      7.4900001E-02
 C   -1.685100      -2.440200      1.1500000E-02
 C  -0.8657000      -3.411300     -0.8111000    
 H  -0.9954000       2.128900       1.258700    
 H  -0.5915000       2.940000     -0.2364000    
 H   -1.637600       1.043500      -1.565800    
 H   0.2010000      0.1259000       1.998200    
 H    1.207400       2.123600      -1.683900    
 H   -3.836400       1.551100     -0.9651000    
 H   -2.947700       2.912400     -0.8544000    
 H    2.339100      -1.096900       1.918000    
 H    3.345100      0.9062000      -1.761300    
 H   -1.369500      -2.485200       1.059800    
 H   -2.747400      -2.698400     -6.0199998E-02
 H  -0.9974000      -4.436000     -0.4528000    
 H   -1.157200      -3.364800      -1.865600    
 H   0.1976000      -3.153700     -0.7638000    
 H    4.654100     -0.5806000     -0.7620000    


%chk=000061328-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000061328

0 1
O -2.123504 -1.620146 -0.711769
O -1.434481 -0.782660 1.348548
O 5.051674 0.555510 0.682574
N -2.676744 1.159517 -1.099956
C -0.579511 1.713475 0.117671
C -1.344508 0.644670 -0.707133
C 0.908426 1.422175 0.262482
C -1.606046 -0.623928 0.120818
C 1.414100 0.676311 1.361242
C 1.830640 1.882126 -0.711188
C 2.789842 0.397998 1.485827
C 3.212906 1.610932 -0.603640
C 3.689310 0.865067 0.500684
C -2.500024 -2.907574 -0.045930
C -3.050339 -3.823944 -1.133376
H -1.068033 1.797085 1.103884
H -0.713795 2.682990 -0.402257
H -0.711608 0.346565 -1.576737
H 0.714098 0.303612 2.116244
H 1.468150 2.470692 -1.563611
H -3.227311 0.498544 -1.656110
H -2.654193 2.102611 -1.498562
H 3.181806 -0.173657 2.332355
H 3.909878 1.981970 -1.367003
H -1.596449 -3.318710 0.439191
H -3.242736 -2.684965 0.741257
H -3.336090 -4.796612 -0.692975
H -3.943721 -3.383251 -1.608240
H -2.293392 -4.006296 -1.915221
H 5.595952 0.925891 -0.055871


