%chk=000005980.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005980

0 1
 O    1.830900       1.004500       1.175800    
 O    2.096700       2.950700     -0.6073000    
 O    4.045100     -0.8137000      0.7378000    
 N   -3.306200     -0.7374000      0.4473000    
 C  -0.5073000      0.5735000      0.6660000    
 C   -1.470100      0.6530000     -0.5079000    
 C   -2.108800     -0.7863000     -0.3947000    
 C   0.5687000       1.665800      0.8157000    
 C   -1.401500      0.3301000       1.952400    
 C   0.4425000     -0.5684000      0.2754000    
 C   -1.268800      -1.843300      -1.142400    
 C   -2.973300      0.1399000       1.635200    
 C   0.1569000      -1.681600     -0.5596000    
 C   0.7402000       2.542200     -0.4572000    
 C  -0.7974000       1.087300      -1.784200    
 C    1.728000     -0.2533000      0.6451000    
 C   0.2318000       1.949300      -1.748800    
 C   -4.489300     -0.2923000     -0.2702000    
 C    1.206300      -2.545700     -0.8619000    
 C    2.774300      -1.106900      0.3633000    
 C    2.501100      -2.267300     -0.3798000    
 H   -2.222900       1.436300     -0.3435000    
 H   -2.691800     -0.7024000      -1.330200    
 H   0.3413000       2.337700       1.652100    
 H   -1.314800       1.174600       2.645500    
 H   -1.050500     -0.5655000       2.479700    
 H   -1.231100      -1.713600      -2.231000    
 H   -1.636400      -2.848300     -0.9084000    
 H   -3.457600     -0.2835000       2.522400    
 H   -3.397100       1.143300       1.494000    
 H   0.1624000       3.463300     -0.3076000    
 H   -1.185400      0.7453000      -2.737800    
 H   0.6674000       2.291900      -2.682800    
 H   -4.381700      0.7022000     -0.7177000    
 H   -5.343500     -0.2523000      0.4158000    
 H   -4.770400      -1.003900      -1.055700    
 H    1.040900      -3.421400      -1.482700    
 H    3.307300      -2.953000     -0.6328000    
 H    2.638600       2.148500     -0.7003000    
 H    4.634300      -1.525900      0.4353000    


%chk=000005980-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005980

0 1
O 1.883960 1.020563 1.055331
O 2.317996 3.124802 -0.510497
O 3.942213 -1.051221 0.858216
N -3.012183 -0.669820 0.376145
C -0.504061 0.738450 0.506473
C -1.442029 0.964851 -0.716800
C -2.275735 -0.349557 -0.887592
C 0.613736 1.805174 0.732180
C -1.372968 0.519403 1.800364
C 0.335615 -0.491063 0.170565
C -1.403229 -1.574200 -1.295273
C -2.865588 0.299255 1.475717
C -0.064587 -1.613588 -0.571360
C 0.909856 2.722951 -0.501219
C -0.635860 1.349671 -1.943967
C 1.658817 -0.293779 0.578031
C 0.470489 2.127995 -1.830190
C -4.385398 -1.145073 0.159217
C 0.901096 -2.639652 -0.737865
C 2.629467 -1.300044 0.420191
C 2.211981 -2.497762 -0.221045
H -2.158316 1.782220 -0.489018
H -3.008604 -0.167721 -1.707496
H 0.450081 2.424834 1.627317
H -1.284805 1.398155 2.468273
H -0.986094 -0.355780 2.350984
H -1.203903 -1.542503 -2.387610
H -1.994661 -2.490118 -1.107025
H -3.372377 -0.117008 2.367102
H -3.364027 1.282034 1.264075
H 0.346840 3.666445 -0.344653
H -0.967251 0.986182 -2.925988
H 1.064703 2.430487 -2.700796
H -5.081657 -0.352494 -0.217254
H -4.799775 -1.540356 1.104682
H -4.388365 -1.969720 -0.577022
H 0.644825 -3.546871 -1.297297
H 2.939974 -3.307903 -0.363046
H 2.831811 2.366990 -0.114322
H 4.526813 -1.820827 0.646771


