%chk=000009651.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009651

0 1
 O   -1.672500      3.2400001E-02  0.9003000    
 O   -3.243100      -1.910300     -0.6935000    
 O   -2.238900       2.818300      0.6310000    
 N    3.483300     -0.2391000     -0.1336000    
 C   0.3678000      -1.109000      0.1847000    
 C  -0.8400000      -1.123600       1.176100    
 C   0.4182000      0.3718000     -3.1199999E-02
 C    1.620700      -1.681500      0.8795000    
 C   -1.681200      -2.400700       1.101200    
 C   5.9599999E-02  -1.833400      -1.112100    
 C  -0.7865000      0.9391000      0.3755000    
 C    2.943600      -1.577500      0.1040000    
 C    1.421800       1.157800     -0.5844000    
 C   -2.137900      -2.729300     -0.3227000    
 C    2.720300      0.5769000      -1.080300    
 C   -1.060300      -2.533500      -1.340000    
 C   -1.055100       2.286200      0.2377000    
 C    1.162900       2.533100     -0.7213000    
 C  -6.1099999E-02   3.089900     -0.3146000    
 C    3.869100      0.4715000       1.078900    
 C   -3.290800       2.861000     -0.3354000    
 H  -0.4986000      -1.003900       2.215300    
 H    1.447700      -2.746200       1.091100    
 H    1.754800      -1.209700       1.862000    
 H   -2.563000      -2.288100       1.743600    
 H   -1.084400      -3.236100       1.488300    
 H   0.7800000      -1.758800      -1.922900    
 H    3.698400      -2.149700      0.6602000    
 H    2.859000      -2.106300     -0.8531000    
 H   -2.480100      -3.770100     -0.3447000    
 H    2.520700      3.5000001E-03  -1.994800    
 H    3.376500       1.393300      -1.410700    
 H   -1.203900      -2.989200      -2.316000    
 H    1.912600       3.189700      -1.157600    
 H  -0.2265000       4.157200     -0.4390000    
 H    3.015600      0.7407000       1.709400    
 H    4.409100       1.391700      0.8286000    
 H    4.555500     -0.1363000       1.678900    
 H   -3.543000      -2.194300      -1.574200    
 H   -3.548100       1.849800     -0.6665000    
 H   -2.997300       3.475100      -1.192600    
 H   -4.169400       3.310800      0.1348000    


%chk=000009651-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000009651

0 1
O -1.728269 0.097158 0.640291
O -3.352552 -1.783239 -0.887131
O -2.226188 3.089316 0.119204
N 3.535317 -0.279122 -0.021064
C 0.363260 -1.085418 0.154269
C -0.905078 -1.105669 1.067066
C 0.466355 0.422833 -0.157649
C 1.578560 -1.682378 0.921194
C -1.777060 -2.354357 0.962566
C 0.093210 -1.806252 -1.168603
C -0.784798 1.020993 0.111207
C 2.950794 -1.619132 0.187746
C 1.532941 1.176073 -0.697867
C -2.208145 -2.641594 -0.490416
C 2.884476 0.547739 -1.058546
C -1.052265 -2.477220 -1.461593
C -1.040618 2.388532 -0.143629
C 1.293997 2.558643 -0.919251
C 0.039871 3.149177 -0.658300
C 3.898204 0.449143 1.205997
C -3.505977 2.356457 0.072576
H -0.607053 -0.905384 2.115876
H 1.359460 -2.747022 1.144712
H 1.671999 -1.160499 1.895252
H -2.677259 -2.243863 1.593449
H -1.195021 -3.209610 1.357755
H 0.868293 -1.704709 -1.939535
H 3.675881 -2.212957 0.779209
H 2.871896 -2.112439 -0.800125
H -2.622910 -3.662021 -0.563282
H 2.770712 -0.091291 -1.958541
H 3.583674 1.359835 -1.339001
H -1.198426 -2.898248 -2.464344
H 2.103909 3.184202 -1.313032
H -0.134830 4.213983 -0.841688
H 3.031110 0.823007 1.801133
H 4.517795 1.325564 0.940115
H 4.502600 -0.209787 1.856309
H -3.077813 -0.848673 -0.677009
H -3.559586 1.588697 0.861472
H -3.649900 1.885730 -0.919140
H -4.275069 3.127005 0.232249


