%chk=000026272.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026272

0 1
 O   0.5353000       1.514600      0.4767000    
 O    3.101400      0.5611000     -0.4269000    
 O   -1.459900     -0.2824000      0.9108000    
 O   -2.084100     -0.1334000      -1.324000    
 N   -3.571400      0.4267000      0.3662000    
 C   0.8059000      0.1860000      0.2771000    
 C    2.052900     -0.2769000     -0.1502000    
 C    1.730200       2.297300      0.5488000    
 C    2.674900       1.918200     -0.5750000    
 C  -0.2321000     -0.7165000      0.5103000    
 C    2.275400      -1.645600     -0.3026000    
 C  -1.2500000E-02  -2.084200      0.3446000    
 C    1.240800      -2.548400     -5.6000002E-02
 C   -2.360500     -4.6000001E-03 -0.1350000    
 C   -4.696300      0.7881000     -0.4648000    
 H    2.190300       2.144300       1.532800    
 H    1.443600       3.350300      0.4655000    
 H    2.200000       2.030800      -1.557500    
 H    3.566900       2.551900     -0.5518000    
 H    3.245800      -2.015200     -0.6227000    
 H  -0.8129000      -2.795500      0.5302000    
 H    1.409900      -3.614100     -0.1803000    
 H   -3.677700      0.4935000       1.373700    
 H   -4.462900      0.6706000      -1.525600    
 H   -4.954700       1.828800     -0.2547000    
 H   -5.538500      0.1456000     -0.1967000    


%chk=000026272-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000026272

0 1
O 0.291854 1.339808 0.334202
O 3.051289 0.629161 -0.340923
O -1.572074 -0.695321 0.728840
O -2.021467 0.200086 -1.434466
N -3.502080 0.439048 0.382800
C 0.719264 0.003798 0.202193
C 2.062518 -0.353873 -0.095849
C 1.411879 2.303233 0.414636
C 2.474264 1.959788 -0.632708
C -0.234793 -1.025603 0.387647
C 2.450002 -1.708259 -0.145267
C 0.140381 -2.379186 0.330362
C 1.490466 -2.717706 0.078559
C -2.350222 0.029321 -0.241615
C -4.556510 1.163897 -0.328593
H 1.848099 2.268248 1.431874
H 0.960752 3.291418 0.231753
H 2.027635 1.951279 -1.645683
H 3.321186 2.663344 -0.599534
H 3.494187 -1.945699 -0.369263
H -0.625321 -3.144451 0.485383
H 1.789726 -3.769595 0.040592
H -3.592662 0.231462 1.377274
H -4.241492 1.277807 -1.377987
H -4.714253 2.169860 0.102956
H -5.512827 0.609137 -0.304282


