%chk=000177287.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177287

0 1
 O    4.495700      -1.456400     -0.2899000    
 O   0.5976000       3.316900       1.806800    
 O    2.290000      -1.200300      -1.962200    
 N  -0.7986000       3.596600     -2.7899999E-02
 N    4.772400      -4.357200       1.963200    
 C   -3.048200       1.576000     -0.4161000    
 C   -2.681400       2.292800      0.8902000    
 C   -3.717600      0.2402000     -0.2121000    
 C   -2.035800       3.664000      0.6997000    
 C   -2.947700     -0.9194000     -0.1235000    
 C   -3.566800      -2.155000      6.6100001E-02
 C   -5.106800      0.1645000     -0.1113000    
 C   -4.956000      -2.230800      0.1668000    
 C    1.570100       3.384700     -0.4102000    
 C   -5.725900      -1.071000      7.8000002E-02
 C   0.4344000       3.426100      0.5942000    
 C    2.346300       2.094800     -0.3805000    
 C   -2.722300      -3.383500      0.1559000    
 C   -5.641600      -3.542200      0.3684000    
 C    1.958800       1.028600      -1.192100    
 C    3.453100       1.966200      0.4587000    
 C    2.678100     -0.1663000      -1.164800    
 C    3.784900     -0.2949000     -0.3256000    
 C    4.172300      0.7713000      0.4862000    
 C    4.571400      -2.131700      0.9640000    
 C    4.675100      -3.626800      0.7083000    
 C    1.148600     -0.9872000      -2.790300    
 H   -3.706500       2.219700      -1.014100    
 H   -2.149300       1.429900      -1.029100    
 H   -3.585900       2.418200       1.498700    
 H   -2.004900       1.652800       1.471700    
 H   -1.852900       4.122400       1.677600    
 H   -2.707400       4.323700      0.1403000    
 H   -1.864800     -0.8547000     -0.2011000    
 H   -5.717000       1.061400     -0.1768000    
 H  -0.8462000       3.667400      -1.039800    
 H    2.235600       4.227700     -0.1830000    
 H    1.210600       3.570600      -1.429600    
 H   -6.809200      -1.111900      0.1546000    
 H   -2.856300      -3.873700       1.125700    
 H   -1.656200      -3.151300      5.6100000E-02
 H   -2.975600      -4.085200     -0.6454000    
 H   -6.729300      -3.426200      0.4299000    
 H   -5.314000      -4.009300       1.302800    
 H   -5.435900      -4.217600     -0.4683000    
 H    1.088500       1.186500      -1.820400    
 H    3.765000       2.789600       1.095700    
 H    5.036800      0.6886000       1.139200    
 H    3.682800      -1.919500       1.573800    
 H    5.457300      -1.772600       1.501200    
 H    5.553000      -3.838200      8.7499999E-02
 H    3.803100      -3.970100      0.1399000    
 H   0.9837000      -1.910700      -3.355100    
 H    1.324300     -0.1934000      -3.524200    
 H   0.2449000     -0.8140000      -2.195600    
 H    4.789400      -5.358100       1.772100    
 H    3.939300      -4.188100       2.525500    


%chk=000177287-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177287

0 1
O 2.431089 -1.944922 -0.110878
O 0.655428 4.494275 1.608879
O 1.252178 -0.918438 -2.247048
N -0.664874 3.935023 -0.232021
N 3.623276 -4.749837 2.018879
C -2.785081 1.669914 -0.478383
C -2.430974 2.479455 0.800874
C -3.103170 0.209240 -0.189570
C -1.944833 3.919384 0.498746
C -2.072537 -0.764976 -0.184392
C -2.319660 -2.127388 0.110761
C -4.420280 -0.211901 0.112500
C -3.653971 -2.539215 0.416864
C 1.786742 3.781412 -0.466031
C -4.684068 -1.567108 0.411918
C 0.554535 4.124576 0.400825
C 2.054782 2.280121 -0.397033
C -1.177730 -3.129303 0.097285
C -3.967877 -3.990399 0.736221
C 1.572853 1.411188 -1.413389
C 2.700926 1.719553 0.724243
C 1.714099 0.010863 -1.303505
C 2.358786 -0.548079 -0.153724
C 2.855743 0.318642 0.843656
C 3.095372 -2.556338 1.054578
C 3.014798 -4.077456 0.858795
C 0.560502 -0.393202 -3.424554
H -3.643269 2.157506 -0.983267
H -1.925191 1.716022 -1.177523
H -3.321181 2.531800 1.458072
H -1.643423 1.949105 1.368132
H -1.772259 4.467344 1.440842
H -2.706847 4.468407 -0.088717
H -1.044129 -0.456099 -0.413981
H -5.240687 0.517016 0.109702
H -0.656058 3.589515 -1.192793
H 2.634766 4.352310 -0.053897
H 1.628392 4.103692 -1.512569
H -5.710339 -1.879685 0.641922
H -1.042333 -3.596835 1.093227
H -0.224105 -2.656348 -0.192174
H -1.372975 -3.956665 -0.612920
H -5.040562 -4.127276 0.956416
H -3.393755 -4.348868 1.612597
H -3.707483 -4.659350 -0.107089
H 1.094037 1.839160 -2.301658
H 3.062786 2.375476 1.522954
H 3.357777 -0.089806 1.725268
H 2.576582 -2.253545 1.988678
H 4.153442 -2.235417 1.113689
H 3.582977 -4.344853 -0.049439
H 1.953809 -4.355456 0.668613
H 0.294116 -1.280343 -4.017238
H 1.219884 0.269115 -4.019624
H -0.361668 0.152744 -3.141136
H 4.102143 -5.628787 1.820206
H 3.042497 -4.791065 2.859012


