%chk=000054476.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054476

0 1
 O   -2.234200       1.674400      0.5949000    
 O    1.030400      -1.785800      0.6667000    
 N    1.717600      0.3425000     -7.0900001E-02
 N    5.892800      1.5100000E-02 -0.2070000    
 C  -0.5815000     -0.1535000      0.2245000    
 C   -2.904900     -0.5518000     -0.1341000    
 C  -0.8549000       1.299000      0.4510000    
 C   -3.186400      0.7797000      0.1892000    
 C   -1.536700      -1.044400     -5.0200000E-02
 C   0.7999000     -0.6323000      0.3013000    
 C   -3.948500      -1.402800     -0.5171000    
 C   -4.500200       1.252600      0.1378000    
 C   -5.258800     -0.9253000     -0.5764000    
 C   -5.534300      0.4008000     -0.2485000    
 C    3.128700      0.2319000     -0.1165000    
 C    3.880000       1.318600     -0.5153000    
 C    3.725800     -0.9603000      0.2383000    
 C    5.256100       1.159300     -0.5435000    
 C    5.108900      -1.017600      0.1762000    
 H  -0.3481000       1.639800       1.360900    
 H  -0.4825000       1.895700     -0.3886000    
 H   -1.344700      -2.096500     -0.2270000    
 H   -3.754300      -2.442200     -0.7710000    
 H   -4.724800       2.284200      0.3960000    
 H    1.379600       1.250600     -0.3735000    
 H   -6.064800      -1.589300     -0.8751000    
 H   -6.554800      0.7702000     -0.2913000    
 H    3.429200       2.263400     -0.7976000    
 H    3.213600      -1.853300      0.5597000    
 H    5.903400       1.975200     -0.8478000    
 H    5.640700      -1.925600      0.4417000    


%chk=000054476-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054476

0 1
O -2.264990 1.747106 0.283765
O 1.077798 -1.844955 0.023304
N 1.824310 0.379234 -0.045508
N 6.084230 -0.010171 0.054056
C -0.584933 -0.086178 -0.091012
C -3.005354 -0.567751 -0.128350
C -0.925782 1.390732 -0.251703
C -3.295798 0.816120 0.073522
C -1.614073 -0.993554 -0.087306
C 0.816832 -0.602676 -0.027984
C -4.091406 -1.472108 -0.273099
C -4.621917 1.281894 0.160298
C -5.422564 -1.014225 -0.217475
C -5.683174 0.361690 0.006578
C 3.227577 0.194238 -0.009503
C 4.051863 1.353630 -0.027419
C 3.863313 -1.075930 0.041572
C 5.451366 1.201551 0.005307
C 5.274316 -1.112119 0.070842
H -0.253811 2.059818 0.315330
H -0.898989 1.685935 -1.323770
H -1.366860 -2.059880 -0.027852
H -3.876895 -2.536639 -0.423967
H -4.805856 2.344984 0.340627
H 1.523927 1.355855 -0.073494
H -6.252618 -1.717469 -0.336614
H -6.716686 0.720715 0.060056
H 3.613998 2.358774 -0.066033
H 3.270375 -1.990436 0.059410
H 6.103568 2.082090 -0.007389
H 5.790533 -2.077975 0.110611


