%chk=000115040.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115040

0 1
 O    2.841800       1.160000      0.7571000    
 O   -3.134600      0.8470000      4.2300001E-02
 O    2.959300       1.473200      -1.532600    
 O   -4.947500     -0.5322000     -0.3804000    
 N    1.543900      0.7141000      0.5410000    
 N   -2.410400     -0.3447000     -6.6299997E-02
 C    1.276700     -0.6572000      0.2941000    
 C  -5.4000001E-02  -1.087400      7.8900002E-02
 C   -1.156300     -7.3500000E-02  0.1170000    
 C    2.312600      -1.604900      0.2581000    
 C  -0.3179000      -2.441900     -0.1641000    
 C   0.5177000       1.624000      0.5714000    
 C  -0.7732000       1.339400      0.3833000    
 C    2.038300      -2.950300      1.5200000E-02
 C   0.7273000      -3.366400     -0.1949000    
 C    3.446600       1.516800     -0.4107000    
 C    4.840000       1.988700     -0.1214000    
 C   -4.456400      0.5652000     -0.1501000    
 C   -5.254000       1.830000     -3.8100000E-02
 H    3.346300      -1.312500      0.4234000    
 H   -1.333100      -2.791500     -0.3313000    
 H   0.8377000       2.641300      0.7708000    
 H   -1.478300       2.159100      0.4363000    
 H    2.848300      -3.673500     -8.7000001E-03
 H   0.5155000      -4.415000     -0.3836000    
 H    5.415800       1.182800      0.3405000    
 H    5.328300       2.272500      -1.058100    
 H    4.807000       2.863500      0.5330000    
 H   -6.313700       1.605300     -0.1895000    
 H   -5.128700       2.260100      0.9588000    
 H   -4.935000       2.538600     -0.8066000    


%chk=000115040-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115040

0 1
O 2.960514 1.126366 0.722770
O -3.297677 0.786839 0.031589
O 3.072899 1.676639 -1.583931
O -5.088377 -0.710836 -0.350472
N 1.589004 0.739038 0.501901
N -2.380757 -0.387348 -0.053631
C 1.305993 -0.621432 0.275762
C -0.067270 -0.985001 0.087145
C -1.129107 0.051392 0.137115
C 2.332088 -1.599952 0.247547
C -0.369748 -2.353397 -0.144019
C 0.623333 1.727696 0.560069
C -0.707536 1.422697 0.390527
C 1.997235 -2.945225 0.016107
C 0.644681 -3.324887 -0.182855
C 3.641013 1.591310 -0.493610
C 5.061009 1.925022 -0.112863
C -4.662796 0.436838 -0.149906
C -5.481609 1.712903 -0.053376
H 3.370212 -1.304090 0.417996
H -1.420001 -2.622552 -0.290181
H 0.990479 2.737341 0.753916
H -1.454226 2.214395 0.443062
H 2.789375 -3.701164 -0.006164
H 0.390695 -4.374110 -0.363630
H 5.569605 1.032057 0.289468
H 5.600329 2.292057 -0.997365
H 5.074383 2.693718 0.678737
H -6.545113 1.469417 -0.190344
H -5.334866 2.191615 0.930274
H -5.163765 2.433255 -0.826837


