%chk=000033717.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033717

0 1
 O   -1.609800       1.142100      -2.227800    
 N    1.399100     -0.9168000      0.2395000    
 C   -3.166200     -0.5652000      0.4106000    
 C   -3.035600      0.8355000     -0.2495000    
 C   -1.670800     -0.5622000      0.8569000    
 C  -0.8922000     -0.4086000     -0.4850000    
 C   -2.469200       1.727000      0.8807000    
 C   -1.574700      0.7506000       1.675400    
 C   -1.819400      0.5974000      -1.154600    
 C   -3.529700      -1.709000     -0.5580000    
 C   -4.186400     -0.6379000       1.566100    
 C   -4.245100       1.395400     -0.9590000    
 C   0.5391000      8.2500003E-02 -0.3846000    
 C    2.756300     -0.4347000      0.3275000    
 C    1.354300      -2.174300     -0.5086000    
 C    3.312900     -0.1252000      -1.064700    
 C    2.832300      0.7899000       1.242700    
 C    4.729800      0.4378000     -0.9911000    
 C    4.249500       1.353100       1.312300    
 C    4.803600       1.657300     -7.6700002E-02
 C    2.222100      -3.234600      0.1478000    
 H   -1.367000      -1.443900       1.427400    
 H  -0.9760000      -1.309200      -1.098200    
 H   -3.256100       2.141600       1.519600    
 H   -1.878800       2.564000      0.4898000    
 H  -0.5613000       1.129800       1.818300    
 H   -1.980100      0.6042000       2.683100    
 H   -4.603700      -1.702900     -0.7791000    
 H   -3.029900      -1.655700      -1.528500    
 H   -3.288700      -2.679900     -0.1108000    
 H   -4.080100      -1.585700       2.106100    
 H   -4.091600      0.1633000       2.302200    
 H   -5.212100     -0.5849000       1.183700    
 H   -5.091900       1.510100     -0.2751000    
 H   -4.025700       2.379500      -1.387800    
 H   -4.558800      0.7472000      -1.783900    
 H   0.5458000       1.056100      0.1032000    
 H   0.8332000      0.2843000      -1.420600    
 H    3.406100      -1.174300      0.8098000    
 H   0.3498000      -2.604800     -0.4463000    
 H    1.581100      -2.082300      -1.576200    
 H    2.731600      0.6312000      -1.600200    
 H    3.360200      -1.013500      -1.702100    
 H    2.497000      0.5286000       2.254200    
 H    2.204900       1.619500      0.9057000    
 H    5.074200      0.7098000      -1.995600    
 H    5.411700     -0.3376000     -0.6203000    
 H    4.904500      0.6313000       1.815900    
 H    4.256200       2.265100       1.920100    
 H    5.843400       1.993000      6.8000001E-03
 H    4.235900       2.483100     -0.5231000    
 H    3.287300      -3.094500     -5.9999999E-02
 H    2.070400      -3.274800       1.232200    
 H    1.958100      -4.221300     -0.2504000    


%chk=000033717-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000033717

0 1
O -1.972913 0.681657 -2.580507
N 1.446007 -1.035406 -0.274077
C -3.097023 -0.472216 0.631772
C -3.115071 0.768709 -0.353576
C -1.531952 -0.405665 0.852907
C -0.994442 -0.504966 -0.607779
C -2.365216 1.866973 0.503972
C -1.333484 1.053489 1.360315
C -2.030572 0.350985 -1.369524
C -3.602834 -1.784363 -0.023015
C -3.918041 -0.263024 1.925403
C -4.432760 1.223984 -0.972540
C 0.470914 -0.115101 -0.914009
C 2.770006 -0.422423 0.060286
C 1.563866 -2.345765 -0.969127
C 3.480769 0.289650 -1.130504
C 2.681432 0.527911 1.279378
C 4.881158 0.807697 -0.719860
C 4.081180 1.046898 1.691217
C 4.796586 1.743876 0.508997
C 1.929164 -3.503036 -0.017978
H -1.117389 -1.177454 1.520618
H -1.128630 -1.550299 -0.953010
H -3.103151 2.397890 1.132737
H -1.887417 2.623621 -0.144124
H -0.297493 1.404681 1.225665
H -1.553590 1.129571 2.439177
H -4.705251 -1.767228 -0.107882
H -3.205638 -1.958611 -1.037816
H -3.332476 -2.656431 0.602108
H -3.744855 -1.105263 2.622477
H -3.671717 0.668163 2.461704
H -5.000102 -0.240013 1.697470
H -5.129948 1.597032 -0.199896
H -4.254478 2.035738 -1.700505
H -4.927522 0.401650 -1.520709
H 0.664470 0.907908 -0.548814
H 0.576998 -0.074421 -2.024094
H 3.421388 -1.266366 0.370242
H 0.587647 -2.574220 -1.435768
H 2.299288 -2.305149 -1.810200
H 2.862890 1.146358 -1.467923
H 3.569679 -0.402460 -1.991086
H 2.195124 -0.010121 2.114624
H 2.038622 1.399705 1.035572
H 5.356532 1.333113 -1.571162
H 5.534221 -0.056094 -0.474564
H 4.700392 0.193489 2.038325
H 3.988823 1.742138 2.548239
H 5.810366 2.070012 0.812731
H 4.234229 2.659625 0.231285
H 2.910115 -3.344953 0.465776
H 1.170782 -3.595797 0.779260
H 1.980815 -4.459178 -0.572410


