%chk=000004637.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004637

0 1
 O   -3.135800       1.030300      0.4509000    
 O  -3.9900001E-02   4.153500     -9.0400003E-02
 O    2.136700      0.8490000       1.144300    
 O    4.074700     -0.5185000     -0.1060000    
 N   -2.708100      -1.696500      0.7881000    
 C  -0.7515000      0.4736000      0.5842000    
 C   -2.050700      0.4265000     -0.2803000    
 C   -2.414500      -1.057900     -0.5184000    
 C  -0.4071000       1.964000      0.8600000    
 C   -1.043200     -0.2379000       1.935500    
 C   -1.906100       1.250100      -1.582000    
 C   0.3893000     -0.3091000     -0.1009000    
 C   -1.319400      -1.747100      -1.357200    
 C  -0.2598000       2.786100     -0.4250000    
 C   -1.605600      -1.656500       1.751700    
 C   -1.511700       2.699200      -1.293600    
 C   9.7599998E-02  -1.363500     -0.9964000    
 C    1.740000     -4.9600001E-02  0.1980000    
 C   -3.264700      -3.040200      0.6700000    
 C    1.144000      -2.081100      -1.601500    
 C    2.769400     -0.7755000     -0.4047000    
 C    2.472300      -1.786800      -1.308800    
 C    2.948300       1.935100      0.7044000    
 C    4.645800      -1.247200      0.9782000    
 H   -3.352600      -1.087000      -1.090100    
 H   0.4191000       2.128000       1.550100    
 H   -1.240500       2.411400       1.424800    
 H   -1.758600      0.3499000       2.525900    
 H  -0.1335000     -0.2964000       2.547500    
 H   -2.862000       1.256900      -2.120700    
 H   -1.162300      0.8194000      -2.259700    
 H   -1.472800      -1.477700      -2.411000    
 H   -1.423500      -2.836800      -1.313100    
 H   0.6080000       2.446100     -0.9982000    
 H  -0.8035000      -2.346300       1.462800    
 H   -1.963600      -2.000200       2.730500    
 H   -1.345900       3.232600      -2.237800    
 H   -2.340800       3.227600     -0.8052000    
 H   -3.456700      0.3950000       1.112200    
 H   -3.659000      -3.371900       1.637200    
 H   -2.526400      -3.778100      0.3405000    
 H   -4.107600      -3.055000     -2.9400000E-02
 H   0.9226000      -2.881700      -2.303500    
 H   6.7100003E-02   4.646000     -0.9221000    
 H    3.266800      -2.356600      -1.782400    
 H    3.983500       1.770800       1.017200    
 H    2.600300       2.849500       1.194000    
 H    2.906200       2.088500     -0.3795000    
 H    5.674200     -0.9029000       1.117800    
 H    4.663300      -2.317900      0.7516000    
 H    4.089300      -1.069000       1.903800    


%chk=000004637-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000004637

0 1
O -3.145979 0.980950 0.540213
O 0.110709 4.141724 -0.069774
O 2.203023 0.773444 1.177737
O 4.206413 -0.655944 -0.235254
N -2.688165 -1.674520 0.812245
C -0.698192 0.463092 0.568319
C -2.045802 0.414586 -0.263143
C -2.409299 -1.063804 -0.529663
C -0.414953 1.968621 0.842356
C -0.944869 -0.274754 1.924787
C -1.969654 1.255191 -1.553466
C 0.431825 -0.301186 -0.171090
C -1.331480 -1.745646 -1.404033
C -0.273130 2.767258 -0.458985
C -1.503237 -1.698068 1.719183
C -1.591364 2.725581 -1.254002
C 0.108660 -1.339429 -1.098810
C 1.817488 -0.095828 0.127912
C -3.392349 -2.969319 0.747629
C 1.132379 -2.048323 -1.773783
C 2.831337 -0.853318 -0.527071
C 2.490382 -1.803715 -1.506984
C 3.044610 1.939679 0.795473
C 4.621282 -1.140222 1.101491
H -3.375347 -1.089746 -1.072600
H 0.475021 2.091043 1.472412
H -1.286718 2.371183 1.390759
H -1.658525 0.321436 2.523308
H 0.004389 -0.322676 2.488819
H -2.955543 1.212521 -2.052560
H -1.221566 0.819389 -2.242591
H -1.554676 -1.516462 -2.465615
H -1.423552 -2.847053 -1.316163
H 0.536102 2.331961 -1.089405
H -0.707360 -2.375892 1.329956
H -1.833483 -2.111160 2.691092
H -1.494367 3.287244 -2.206511
H -2.388208 3.200082 -0.652581
H -3.467145 0.189914 1.073912
H -3.725708 -3.257851 1.760871
H -2.764832 -3.802589 0.348913
H -4.285719 -2.874694 0.104815
H 0.853388 -2.819949 -2.501602
H 0.035989 4.726860 -0.866808
H 3.291777 -2.354422 -2.009126
H 3.436860 2.337157 1.744560
H 2.421077 2.708721 0.305340
H 3.872413 1.619805 0.140270
H 5.690751 -0.892978 1.185638
H 4.482749 -2.236498 1.169222
H 4.043700 -0.637200 1.897688


