%chk=000005861.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005861

1 1
 O  -0.1970000       1.556100     -0.4527000    
 O   0.8909000       1.512900       1.576700    
 O    4.257800       2.094000      -1.196500    
 N   -3.508400     -0.9051000     -0.5397000    
 C   -3.849800      0.5995000     -0.5636000    
 C   -2.704600     -0.9758000      0.7756000    
 C   -4.312900      0.8663000      0.8783000    
 C   -3.569300     -0.1559000       1.747500    
 C   -2.581000       1.411700     -0.8789000    
 C   -1.333800     -0.3039000      0.5794000    
 C   -1.439300       1.157700      0.1176000    
 C   -2.764800      -1.413100      -1.773400    
 C   -4.784600      -1.766300     -0.4615000    
 C   0.9016000       1.425000      0.3556000    
 C    2.140200       1.158800     -0.4950000    
 C    3.152100       2.300700     -0.3227000    
 C    2.741700     -0.2011000     -0.1777000    
 C    3.698700     -0.2939000      0.8132000    
 C    2.313400      -1.304100     -0.8890000    
 C    4.250500      -1.541300       1.104600    
 C    2.865000      -2.551700     -0.5974000    
 C    3.833600      -2.670200      0.3995000    
 H   -4.634400      0.7725000      -1.307500    
 H   -2.600900      -2.025300       1.070500    
 H   -5.395100      0.7166000      0.9694000    
 H   -4.114900       1.894900       1.198500    
 H   -2.975400      0.3294000       2.529400    
 H   -4.289500     -0.8026000       2.262100    
 H   -2.243900       1.226800      -1.905500    
 H   -2.821400       2.483200     -0.8650000    
 H  -0.7962000     -0.3514000       1.534800    
 H  -0.7174000     -0.8902000     -0.1114000    
 H   -1.623300       1.795300      0.9929000    
 H   -3.415600      -1.274400      -2.642000    
 H   -1.834100     -0.8680000      -1.927900    
 H   -2.543100      -2.473900      -1.622100    
 H   -5.392300      -1.478500      0.3974000    
 H   -5.352900      -1.612600      -1.383800    
 H   -4.480500      -2.812800     -0.3643000    
 H    1.846000       1.149500      -1.554300    
 H    3.516400       2.429800      0.7004000    
 H    2.686200       3.254500     -0.5981000    
 H    4.031400      0.5501000       1.405200    
 H    1.557700      -1.221500      -1.664500    
 H    3.911900       2.054000      -2.104400    
 H    4.999800      -1.635400       1.885200    
 H    2.539400      -3.431000      -1.145500    
 H    4.261800      -3.641900      0.6278000    


%chk=000005861-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005861

1 1
O -0.090955 1.018882 -0.658918
O 0.779276 1.652560 1.409140
O 4.528782 2.448238 -0.686198
N -3.698802 -1.052749 -0.253427
C -3.832867 0.437663 -0.728053
C -2.945110 -0.826784 1.106138
C -4.352884 1.145136 0.555218
C -3.775537 0.315392 1.754927
C -2.449638 0.963856 -1.165008
C -1.491789 -0.400687 0.821245
C -1.422882 0.908804 -0.011508
C -2.978766 -1.969107 -1.231122
C -5.077072 -1.665022 -0.010978
C 0.975706 1.379312 0.204572
C 2.306467 1.333073 -0.523338
C 3.275648 2.410669 0.056773
C 2.880492 -0.089171 -0.412776
C 3.071032 -0.694576 0.855674
C 3.255713 -0.795933 -1.579810
C 3.633982 -1.986136 0.951266
C 3.822095 -2.087357 -1.484422
C 4.010766 -2.687086 -0.218279
H -4.549393 0.458343 -1.566624
H -2.980374 -1.775203 1.668691
H -5.453842 1.184109 0.580836
H -4.000875 2.188784 0.571644
H -3.124723 0.925014 2.401306
H -4.578636 -0.079545 2.397828
H -2.062042 0.416866 -2.041460
H -2.580189 2.009064 -1.496927
H -0.991787 -0.237544 1.791593
H -0.922733 -1.200618 0.315300
H -1.540013 1.774048 0.667167
H -3.565065 -2.019557 -2.162145
H -1.971731 -1.603115 -1.454520
H -2.908914 -2.972951 -0.783503
H -5.655870 -1.049381 0.687249
H -5.609528 -1.730666 -0.972577
H -4.946585 -2.674326 0.409227
H 2.117855 1.549007 -1.591565
H 3.555736 2.148298 1.088258
H 2.773391 3.400823 0.070978
H 2.795343 -0.154177 1.769891
H 3.125436 -0.329854 -2.563820
H 4.393958 2.892470 -1.560757
H 3.791269 -2.440034 1.935888
H 4.126937 -2.617574 -2.393170
H 4.458418 -3.683862 -0.142703


