%chk=000009646.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009646

0 1
 O   -1.859400     -0.9324000       1.311800    
 O    2.429100      -1.531300     -0.1022000    
 O   -2.016200      -2.961200     -0.4983000    
 O   -4.187800      0.7460000      0.7736000    
 N    3.060200       1.144300      0.4655000    
 C   0.4109000     -0.4420000      0.6552000    
 C    1.424300     -0.5809000     -0.4727000    
 C    1.973700      0.9109000     -0.4977000    
 C  -0.6100000      -1.563100      0.8830000    
 C    1.204700     -3.0000000E-03   1.964700    
 C  -0.6021000      0.5957000      0.1709000    
 C   0.7991000      -1.170700      -1.752400    
 C    1.041500       1.834200      -1.342800    
 C    2.746700      0.4093000       1.740400    
 C  -0.3797000       1.649200     -0.7496000    
 C   0.1341000      -2.516000      -1.441700    
 C  -0.9373000      -2.377000     -0.3783000    
 C   -1.855900      0.2657000      0.6357000    
 C    4.390100      0.8984000     -5.4499999E-02
 C   -1.476200       2.434800      -1.090100    
 C   -2.945600       1.046600      0.3194000    
 C   -2.744100       2.142300     -0.5402000    
 H    2.637900      0.7698000      -1.370200    
 H  -0.2844000      -2.270200       1.653500    
 H    1.199800     -0.8214000       2.694400    
 H   0.6954000      0.8497000       2.431300    
 H    1.578800      -1.335200      -2.506500    
 H   5.4000001E-02 -0.5175000      -2.214400    
 H    1.030800       1.581700      -2.409100    
 H    1.348400       2.878800      -1.223200    
 H    3.053900       1.040900       2.582400    
 H    3.351800     -0.5031000       1.815600    
 H   0.8609000      -3.260200      -1.100400    
 H  -0.3318000      -2.903500      -2.354800    
 H    3.057000      -1.605800     -0.8404000    
 H    4.561200     -0.1378000     -0.3596000    
 H    5.137300       1.141200      0.7099000    
 H    4.608500       1.552700     -0.9065000    
 H   -1.369300       3.265100      -1.781900    
 H   -3.586700       2.770600     -0.8229000    
 H   -4.815800       1.404600      0.4302000    


%chk=000009646-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000009646

0 1
O -1.851957 -0.906687 1.308143
O 2.427155 -1.878028 -0.116771
O -2.282518 -2.878975 -0.652501
O -3.988820 1.118286 1.086491
N 2.679846 1.091670 0.392175
C 0.434469 -0.631789 0.531969
C 1.443152 -0.879274 -0.608026
C 2.150543 0.497632 -0.865202
C -0.675444 -1.701552 0.787466
C 1.189901 -0.284491 1.862058
C -0.463109 0.523849 0.085475
C 0.761359 -1.471986 -1.862531
C 1.186495 1.539184 -1.514477
C 2.606159 0.294565 1.634683
C -0.145497 1.583405 -0.777072
C 0.012027 -2.776991 -1.482337
C -1.102600 -2.491874 -0.480661
C -1.737286 0.339464 0.644238
C 3.953736 1.800490 0.218379
C -1.155616 2.558884 -0.972409
C -2.740902 1.313075 0.476806
C -2.414953 2.435464 -0.334567
H 2.984690 0.296096 -1.585346
H -0.415054 -2.415744 1.587791
H 1.292596 -1.204230 2.466822
H 0.567375 0.424836 2.434668
H 1.527587 -1.692658 -2.632360
H 0.048207 -0.754668 -2.304825
H 1.016062 1.295902 -2.584780
H 1.685328 2.525909 -1.491947
H 2.857959 0.975104 2.471488
H 3.347346 -0.536599 1.644631
H 0.741384 -3.470395 -1.017391
H -0.431778 -3.268567 -2.364364
H 3.153411 -1.950984 -0.788388
H 4.824769 1.117323 0.044789
H 4.172562 2.402194 1.119454
H 3.895072 2.495271 -0.639859
H -0.973664 3.415901 -1.630959
H -3.178299 3.208184 -0.498680
H -4.613892 1.843005 0.835028


