%chk=000100408.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100408

0 1
 O   0.8419000      0.7047000       1.441400    
 N    2.877200     -0.8203000      0.4436000    
 N   -2.839600      1.6200000E-02 -0.4523000    
 C    2.930300      0.1637000     -0.6468000    
 C    3.887600      -1.871600      0.2601000    
 C    4.308100      0.8226000     -0.7289000    
 C    5.296700      -1.279400      0.2074000    
 C    5.411900     -0.2178000     -0.8807000    
 C    1.540600      -1.406500      0.5391000    
 C   0.5238000     -0.3066000      0.8141000    
 C  -0.8536000     -0.4743000      0.3126000    
 C   -1.525400      -1.689500      0.1314000    
 C   -1.652200      0.5607000     -4.2100001E-02
 C   -2.790600      -1.356300     -0.3571000    
 C   -1.438800       1.989900     -4.3699998E-02
 C   -1.209600      -3.049000      0.3250000    
 C   -3.759600      -2.318400     -0.6628000    
 C   -2.168900      -4.022300      2.3300000E-02
 C   -3.423800      -3.660500     -0.4628000    
 C  -0.9168000       2.614300      -1.175100    
 C   -1.755000       2.740300       1.087200    
 C  -0.7101000       3.993800      -1.175400    
 C   -1.548500       4.119800       1.086900    
 C   -1.025900       4.746500     -4.4399999E-02
 H    2.208200      0.9759000     -0.5205000    
 H    2.700900     -0.3151000      -1.608600    
 H    3.694800      -2.443700     -0.6571000    
 H    3.845400      -2.577200       1.098700    
 H    4.486200       1.416700      0.1765000    
 H    4.337300       1.515900      -1.577200    
 H    6.026600      -2.076100      2.5000000E-02
 H    5.544800     -0.8346000       1.179500    
 H    5.333900     -0.6935000      -1.866000    
 H    6.393900      0.2654000     -0.8327000    
 H    1.291800      -1.929400     -0.3910000    
 H    1.497500      -2.106200       1.380900    
 H   -3.639700      0.5409000     -0.7789000    
 H  -0.2521000      -3.372800      0.7171000    
 H   -4.736700      -2.037600      -1.041100    
 H   -1.932700      -5.072400      0.1741000    
 H   -4.154200      -4.432900     -0.6895000    
 H  -0.6642000       2.041100      -2.064000    
 H   -2.162200       2.266600       1.977300    
 H  -0.3026000       4.481800      -2.056100    
 H   -1.794000       4.706000       1.967600    
 H  -0.8647000       5.820600     -4.4500001E-02


%chk=000100408-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100408

0 1
O 1.145127 1.172965 0.482770
N 3.078519 -0.859898 0.245566
N -2.974638 0.106859 -0.292652
C 3.598235 -0.052520 -0.887682
C 3.907927 -2.065128 0.493414
C 5.051904 0.388862 -0.628306
C 5.368922 -1.677937 0.799134
C 5.961339 -0.829198 -0.349164
C 1.657098 -1.191689 0.118718
C 0.695419 0.010161 0.242338
C -0.748577 -0.259044 0.064010
C -1.421897 -1.555102 -0.109521
C -1.755737 0.745885 -0.054359
C -2.817947 -1.281470 -0.320936
C -1.769728 2.226586 -0.037585
C -1.022088 -2.922123 -0.104394
C -3.795744 -2.279891 -0.506765
C -1.988288 -3.930545 -0.292599
C -3.363015 -3.619913 -0.490937
C -2.599582 2.910748 -0.975344
C -1.048564 2.993689 0.916372
C -2.706852 4.317243 -0.957199
C -1.166209 4.398971 0.937228
C -1.992645 5.068259 0.004533
H 2.952619 0.832869 -1.000983
H 3.555519 -0.643569 -1.843557
H 3.894556 -2.760447 -0.390685
H 3.477375 -2.616227 1.351799
H 5.060162 1.068306 0.245171
H 5.421008 0.960068 -1.502021
H 5.966872 -2.596413 0.958270
H 5.389563 -1.093151 1.738857
H 6.035398 -1.451367 -1.265795
H 6.987792 -0.500633 -0.097783
H 1.416839 -1.721052 -0.843822
H 1.393338 -1.896403 0.933492
H -3.863031 0.603147 -0.351408
H 0.019316 -3.214078 0.042883
H -4.850546 -2.026667 -0.660438
H -1.673538 -4.979902 -0.285936
H -4.088070 -4.428416 -0.632853
H -3.124275 2.342805 -1.753905
H -0.393930 2.485748 1.625832
H -3.334987 4.824884 -1.697585
H -0.604659 4.973217 1.681985
H -2.072399 6.160913 0.021341


