%chk=000017336.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017336

0 1
 O   -2.310700      -1.542200      0.1128000    
 O  -0.8777000      -1.442100      -1.845600    
 O   0.2080000       1.223800       1.864500    
 O    2.933600      -2.238100      0.5829000    
 N    1.076300      -1.775400     -0.6906000    
 N    1.618200     -0.4441000       1.163100    
 C  -0.1413000      0.3291000     -0.3621000    
 C   -1.615100      0.7377000     -0.2244000    
 C   0.5784000       1.325600      -1.288500    
 C   -2.391400     -0.2302000      0.6627000    
 C  -5.2000001E-02  -1.041700      -1.025300    
 C   0.5404000      0.4133000       1.000000    
 C   -3.856300      0.1760000      0.7531000    
 C   0.6046000       2.688800     -0.6813000    
 C    1.954300      -1.525200      0.3571000    
 C    1.730600       3.344500     -0.3785000    
 H   -2.080800      0.7674000      -1.219300    
 H   -1.727400       1.739200      0.2057000    
 H   7.2800003E-02   1.380300      -2.261500    
 H    1.600100      0.9831000      -1.501600    
 H   -1.971400     -0.2652000       1.673000    
 H    1.234600      -2.630300      -1.216700    
 H    2.176100     -0.3174000       2.003000    
 H   -4.332000      0.1540000     -0.2336000    
 H   -4.410400     -0.5284000       1.383000    
 H   -3.966800       1.179300       1.175600    
 H  -0.3344000       3.215500     -0.5381000    
 H   -2.805300      -2.138300      0.7007000    
 H    1.688900       4.348600      2.9200001E-02
 H    2.706700       2.896100     -0.5268000    


%chk=000017336-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017336

0 1
O -1.825530 -1.422834 0.778164
O -0.675183 -1.082995 -2.278321
O 0.222942 1.135478 1.928565
O 2.552941 -2.669049 0.659722
N 0.959586 -1.805630 -0.815781
N 1.458981 -0.674098 1.195478
C -0.171159 0.394584 -0.378586
C -1.679958 0.753352 -0.248414
C 0.583166 1.502971 -1.238058
C -2.417631 -0.060383 0.834304
C -0.030448 -0.891775 -1.216371
C 0.481722 0.320031 1.005247
C -3.934145 -0.099816 0.598651
C 0.746752 2.845824 -0.562103
C 1.715596 -1.778469 0.365640
C 1.920187 3.522413 -0.500483
H -2.137667 0.568128 -1.237482
H -1.788834 1.824319 -0.008027
H -0.016963 1.605930 -2.164843
H 1.577212 1.121057 -1.539942
H -2.194299 0.376263 1.829122
H 1.098956 -2.627625 -1.411570
H 1.957046 -0.668405 2.091348
H -4.160006 -0.606522 -0.356483
H -4.456630 -0.635340 1.413920
H -4.348231 0.924713 0.556164
H -0.152821 3.298342 -0.123460
H -2.270127 -2.005799 1.442601
H 1.987061 4.508972 -0.029541
H 2.848083 3.110064 -0.916962


