%chk=000028565.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028565

1 1
 O   -4.566800       1.482600      0.4524000    
 O    5.877800     -0.2858000     -0.6280000    
 O   -5.968500     -0.8095000     -0.1436000    
 O    4.874100      -1.718100       1.530200    
 N  -0.2298000       1.547900      0.4137000    
 C   0.4136000      0.2060000      0.8372000    
 C   3.5200000E-02   1.793600      -1.076400    
 C   -1.747300       1.528800      0.7071000    
 C  -0.3159000     -0.9961000      0.1899000    
 C    1.881500      0.1132000      0.4675000    
 C    1.533900       1.823700      -1.386100    
 C   0.3432000       2.710800       1.251000    
 C   -2.489500      0.2824000      0.3318000    
 C    2.385900      0.8352000     -0.6292000    
 C   -1.815200     -0.9275000      0.1481000    
 C    2.730100     -0.7444000       1.183600    
 C   -3.889300      0.3155000      0.2421000    
 C    3.736100      0.6914000     -0.9815000    
 C   -2.548300      -2.085300     -0.1563000    
 C    4.068600     -0.8805000      0.8196000    
 C    4.570900     -0.1644000     -0.2634000    
 C   -4.609900     -0.8409000     -5.2700002E-02
 C   -3.938500      -2.042500     -0.2533000    
 C    6.194300      -1.302300      -1.577000    
 C   -6.526200     -0.5339000      -1.427100    
 H   0.2963000      0.1645000       1.928500    
 H  -0.4379000       2.743100      -1.352900    
 H  -0.4588000      0.9953000      -1.639700    
 H   -2.163600       2.407000      0.1995000    
 H   -1.859500       1.664400       1.790400    
 H  -2.4400000E-02  -1.904300      0.7356000    
 H   2.9200001E-02  -1.140500     -0.8436000    
 H    1.918800       2.829500      -1.174000    
 H    1.662900       1.661200      -2.463600    
 H  -0.1398000       3.635500      0.9213000    
 H   0.1237000       2.517200       2.305400    
 H    1.423600       2.776600       1.111800    
 H    2.341600      -1.313700       2.025100    
 H    4.139900       1.258800      -1.817400    
 H   -2.034700      -3.029100     -0.3237000    
 H   -4.489000      -2.949800     -0.4863000    
 H   -5.521300       1.304400      0.3983000    
 H    5.775400      -1.660900       1.169100    
 H    5.899200      -2.288200      -1.204300    
 H    7.276200      -1.298000      -1.735400    
 H    5.699900      -1.099200      -2.532200    
 H   -6.263900      -1.326600      -2.134700    
 H   -6.179200      0.4339000      -1.802900    
 H   -7.614600     -0.5004000      -1.327400    


%chk=000028565-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028565

1 1
O -4.355045 1.950496 0.225649
O 5.899420 -0.907259 -0.337938
O -6.040584 0.014511 -0.508408
O 4.745311 -2.003420 1.813481
N -0.130431 1.458119 0.356906
C 0.369327 0.044712 0.792181
C 0.129819 1.627547 -1.151231
C -1.628397 1.604798 0.669221
C -0.430441 -1.077783 0.080019
C 1.854186 -0.088632 0.495175
C 1.629056 1.525068 -1.495500
C 0.601061 2.538654 1.146724
C -2.464400 0.447215 0.177612
C 2.418629 0.526307 -0.649938
C -1.929001 -0.849647 -0.031756
C 2.638595 -0.930504 1.321500
C -3.843510 0.670841 0.001498
C 3.782711 0.286078 -0.963409
C -2.792303 -1.898517 -0.418352
C 3.982526 -1.175223 1.004032
C 4.556918 -0.563830 -0.155019
C -4.705967 -0.391417 -0.385521
C -4.179262 -1.681065 -0.592694
C 6.615681 -0.353306 -1.496341
C -7.043770 -0.995121 -0.882495
H 0.172124 0.009274 1.880334
H -0.280644 2.610777 -1.437958
H -0.467117 0.851246 -1.653147
H -1.971551 2.556192 0.227359
H -1.704253 1.706873 1.768439
H -0.220748 -2.006216 0.643303
H 0.008065 -1.245623 -0.923273
H 2.098747 2.524636 -1.405921
H 1.698298 1.260465 -2.567832
H 0.215782 3.522255 0.835260
H 0.405832 2.384107 2.219105
H 1.680354 2.470449 0.962521
H 2.221509 -1.410581 2.212798
H 4.226353 0.771169 -1.839283
H -2.384112 -2.900993 -0.586010
H -4.827557 -2.512031 -0.884108
H -5.336230 1.939622 0.059953
H 5.667946 -2.067755 1.447179
H 6.137282 -0.674538 -2.439983
H 7.631608 -0.766365 -1.432781
H 6.654380 0.750319 -1.439860
H -7.083297 -1.801931 -0.127977
H -6.821921 -1.412913 -1.881522
H -8.000980 -0.456462 -0.905492


