%chk=000044778.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044778

0 1
 O    2.023600     -0.3749000      -1.056500    
 O   0.2727000       2.337700     -0.2405000    
 O   -1.661300      0.8082000       1.010500    
 N   -1.776200     -0.5276000     -0.8863000    
 C   9.0599999E-02  0.9912000     -0.6428000    
 C    1.261500      0.2005000     -0.1139000    
 C   -1.205500      0.4371000     -6.9200002E-02
 C   -2.999100      -1.214100     -0.5419000    
 C    1.692500     -4.0899999E-02   1.141200    
 C   -3.543600     -0.7426000      0.7906000    
 C    2.842700     -0.8500000      0.9819000    
 C    3.002200      -1.024600     -0.3731000    
 H   6.9799997E-02  0.9646000      -1.738100    
 H   -3.719100      -1.030600      -1.345400    
 H   -2.780800      -2.286100     -0.5171000    
 H   -1.322500     -0.7786000      -1.759700    
 H    1.257000      0.3069000       2.066800    
 H   -2.884300     -0.9780000       1.632500    
 H   -3.846300      0.3097000      0.7838000    
 H   -4.467500      -1.300700      0.9911000    
 H    3.476400      -1.255100       1.757500    
 H    3.722300      -1.555000     -0.9790000    
 H  -0.4367000       2.862600     -0.6493000    


%chk=000044778-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044778

0 1
O 1.121141 -0.577520 -1.058172
O 0.505105 2.408663 1.049674
O -1.772199 1.231289 1.668194
N -1.636002 -0.414257 0.005859
C 0.121386 1.360074 0.129116
C 1.259595 0.388469 -0.025753
C -1.191156 0.692849 0.670018
C -2.876304 -1.128241 0.368649
C 2.470561 0.215328 0.612566
C -3.888145 -1.166654 -0.793874
C 3.133932 -0.906835 -0.028729
C 2.297172 -1.364755 -1.027683
H -0.124005 1.797079 -0.864295
H -2.621217 -2.157026 0.689611
H -3.299349 -0.601062 1.239975
H -1.043378 -0.796158 -0.739166
H 2.838864 0.831897 1.427925
H -4.179848 -0.145019 -1.092843
H -3.471234 -1.681583 -1.679367
H -4.798698 -1.711036 -0.484760
H 4.112127 -1.312514 0.222271
H 2.351822 -2.157925 -1.767756
H -0.241768 2.454636 1.721641


