%chk=000127655.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127655

0 1
 O   -4.928200       1.342300      0.2296000    
 O    6.103500      0.1796000      0.4936000    
 N   -2.570500       1.404200      0.2279000    
 N    2.872600      -1.277100      0.4034000    
 N    4.214700      -1.119400      0.4652000    
 C   -3.604900     -0.7159000     -4.9199998E-02
 C   -2.099200     -0.8101000     -6.7000002E-02
 C   -1.544300      0.4597000      9.9399999E-02
 C   -3.834000      0.8012000      0.1533000    
 C   -4.208600      -1.486300       1.125000    
 C   -4.217000      -1.153300      -1.379700    
 C   0.6498000     -0.4561000     -2.9200001E-02
 C  -0.1746000      0.6609000      0.1215000    
 C   -1.285900      -1.921600     -0.2167000    
 C    2.756300       1.012800     -0.5091000    
 C    2.140000     -0.2875000     -1.1800000E-02
 C   9.8800004E-02  -1.737200     -0.1970000    
 C   -2.329800       2.815500      0.4152000    
 C    4.000500       1.299300      0.3166000    
 C    3.081200      0.9060000      -2.000400    
 C    4.879700      8.2800001E-02  0.4096000    
 H   -5.294600      -1.346700       1.171500    
 H   -4.010800      -2.561000       1.044200    
 H   -3.797500      -1.144500       2.082500    
 H   -4.019700      -2.211600      -1.583900    
 H   -5.303300      -1.007400      -1.380900    
 H   -3.812000     -0.5729000      -2.217500    
 H   0.2117000       1.657800      0.2877000    
 H   -1.706100      -2.912900     -0.3483000    
 H    2.085000       1.862900     -0.3834000    
 H   0.7377000      -2.608000     -0.3225000    
 H    3.720900       1.576200       1.340500    
 H    4.574300       2.127400     -0.1135000    
 H   -3.279200       3.353700      0.4851000    
 H   -1.763700       3.203200     -0.4367000    
 H   -1.766600       2.967600       1.340400    
 H    3.554500       1.824100      -2.363900    
 H    3.751600      6.7500003E-02  -2.216700    
 H    2.166000      0.7462000      -2.581000    
 H    4.731500      -1.980700      0.6117000    


%chk=000127655-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127655

0 1
O -4.960253 1.384945 -0.071811
O 6.313489 -0.195121 0.106154
N -2.593371 1.391788 -0.098975
N 2.900696 -1.432078 -0.199440
N 4.294898 -1.287010 -0.241221
C -3.641564 -0.765316 0.008974
C -2.121379 -0.876254 -0.004762
C -1.554833 0.424898 -0.067746
C -3.859248 0.774131 -0.057265
C -4.277406 -1.311710 1.317425
C -4.307404 -1.425502 -1.230252
C 0.698405 -0.492269 -0.054362
C -0.167268 0.642488 -0.091964
C -1.268695 -1.990959 0.033454
C 2.828273 1.061068 -0.088790
C 2.174167 -0.324039 -0.091856
C 0.131216 -1.799025 0.008338
C -2.405859 2.838868 -0.167169
C 4.199637 0.991645 0.630617
C 2.976204 1.572543 -1.551188
C 5.050755 -0.170637 0.136294
H -5.354444 -1.068912 1.334538
H -4.158166 -2.408899 1.369839
H -3.804761 -0.869154 2.211824
H -4.185000 -2.522855 -1.189551
H -5.385556 -1.187290 -1.241538
H -3.858713 -1.061871 -2.171298
H 0.230599 1.659877 -0.144843
H -1.678144 -3.006080 0.084510
H 2.193677 1.772109 0.468586
H 0.812618 -2.653083 0.037519
H 4.055935 0.852560 1.721296
H 4.772885 1.923304 0.491757
H -3.406187 3.302020 -0.177557
H -1.864972 3.127905 -1.087528
H -1.845450 3.210379 0.710927
H 3.419736 2.584999 -1.559363
H 3.633382 0.907226 -2.139843
H 1.997489 1.615674 -2.060011
H 4.794414 -2.149665 -0.468219


