%chk=000026426.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026426

0 1
 O   -3.071200      -2.274400       2.260000    
 O   -1.132800      -2.676400      0.4465000    
 N   -1.731400       3.259000      8.1699997E-02
 N  -0.8322000     -0.3790000      0.1140000    
 C   -1.068900       2.042600      0.5343000    
 C   -1.511100      0.8550000     -0.3079000    
 C   -1.089500       3.776900      -1.128300    
 C   -1.720900       4.275600       1.135600    
 C   0.6148000     -0.4324000      4.7300000E-02
 C   -1.528700      -1.513200      0.5808000    
 C   -2.883700      -1.279400       1.257200    
 C   -1.811800       5.007900      -1.649000    
 C  -0.3012000       4.684800       1.489600    
 C    1.325600      -1.225400      0.9480000    
 C    1.296200      0.3095000     -0.9176000    
 C   -4.051800      -1.397500      0.3049000    
 C    3.399600     -0.5351000     -8.1100002E-02
 C    2.718000      -1.276800      0.8837000    
 C    2.688700      0.2582000     -0.9819000    
 C    4.843800     -0.5885000     -0.1477000    
 C   -5.210500     -0.6532000      0.5265000    
 C   -3.970900      -2.250600     -0.7959000    
 C   -6.288200     -0.7618000     -0.3522000    
 C   -5.048700      -2.359200      -1.674700    
 C    5.609700      0.3173000      0.5863000    
 C    5.470500      -1.546000     -0.9454000    
 C   -6.207400      -1.614800      -1.452700    
 C    7.002200      0.2659000      0.5225000    
 C    6.863000      -1.597400      -1.009100    
 C    7.628700     -0.6915000     -0.2751000    
 H   1.9600000E-02   2.156600      0.5339000    
 H   -1.350800       1.818500       1.572500    
 H   -1.319400      0.9822000      -1.377600    
 H   -2.594400      0.7430000     -0.2345000    
 H  -1.7700000E-02   3.975900      -1.017300    
 H   -1.165900       3.029400      -1.926000    
 H   -2.321200       5.151600      0.8685000    
 H   -2.212500       3.873900       2.031300    
 H   -2.883400     -0.3049000       1.757500    
 H   -2.894800       4.850900      -1.700400    
 H   -1.611200       5.899600      -1.047700    
 H   -1.468000       5.231600      -2.665300    
 H   0.3239000       3.854800       1.830100    
 H   0.2139000       5.213900      0.6833000    
 H  -0.3439000       5.390600       2.328300    
 H   0.8321000      -1.789400       1.734200    
 H   0.7842000      0.9251000      -1.649800    
 H    3.257500      -1.894300       1.598100    
 H    3.204700      0.8396000      -1.742500    
 H   -5.285400      1.4200000E-02   1.380900    
 H   -3.097000      -2.859100     -0.9997000    
 H   -2.393200      -2.130100       2.942300    
 H   -7.190500     -0.1824000     -0.1794000    
 H   -4.987700      -3.025700      -2.530100    
 H    5.137200       1.070000       1.213200    
 H    4.888600      -2.259700      -1.523900    
 H   -7.046800      -1.700100      -2.136500    
 H    7.598600      0.9712000       1.093900    
 H    7.351200      -2.342800      -1.630100    
 H    8.712900     -0.7316000     -0.3247000    


%chk=000026426-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026426

0 1
O -3.457905 -1.717425 2.461894
O -1.022204 -2.184281 1.598989
N -1.743803 3.500135 0.462494
N -0.794342 -0.193857 0.381559
C -1.211603 2.218255 0.973911
C -1.392210 1.091586 -0.077854
C -0.755870 4.255440 -0.350289
C -2.490609 4.299496 1.467553
C 0.622816 -0.399509 0.145077
C -1.524809 -1.115999 1.113723
C -3.051604 -0.887291 1.330467
C -1.391822 5.369179 -1.202407
C -1.645943 4.923586 2.611644
C 1.495414 -0.760489 1.200605
C 1.151517 -0.222885 -1.156855
C -3.851469 -1.234191 0.068832
C 3.421548 -0.745583 -0.345867
C 2.870008 -0.929669 0.952310
C 2.529838 -0.390138 -1.394442
C 4.879259 -0.926673 -0.598110
C -4.861515 -0.359857 -0.399538
C -3.628267 -2.460691 -0.607588
C -5.638415 -0.700320 -1.530210
C -4.401463 -2.800776 -1.737742
C 5.554793 -0.154691 -1.584000
C 5.636189 -1.878095 0.141284
C -5.408738 -1.921689 -2.203401
C 6.934886 -0.327027 -1.822471
C 7.016624 -2.049864 -0.094327
C 7.674447 -1.275388 -1.078038
H -0.133473 2.277830 1.254891
H -1.762247 1.938773 1.892159
H -0.901439 1.387696 -1.019056
H -2.459310 0.959321 -0.308799
H 0.060903 4.687659 0.280423
H -0.265178 3.531295 -1.028534
H -3.037400 5.100061 0.936279
H -3.263862 3.638479 1.903982
H -3.261070 0.156783 1.625954
H -2.210140 4.958227 -1.819690
H -1.803653 6.184429 -0.580824
H -0.633883 5.814607 -1.872488
H -1.103783 4.146144 3.180996
H -0.903024 5.644593 2.224689
H -2.302452 5.464207 3.318415
H 1.096091 -0.913302 2.205897
H 0.482530 0.007250 -1.993208
H 3.531745 -1.177247 1.789385
H 2.909430 -0.286897 -2.416847
H -5.051613 0.582766 0.130158
H -2.852109 -3.145971 -0.246520
H -2.751470 -2.425649 2.539819
H -6.420960 -0.018380 -1.881325
H -4.222676 -3.750246 -2.254976
H 5.002553 0.607087 -2.146263
H 5.134403 -2.510533 0.882419
H -6.010227 -2.188507 -3.079677
H 7.435320 0.284992 -2.581354
H 7.576624 -2.795033 0.481771
H 8.746121 -1.409120 -1.262078


