%chk=000100407.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100407

0 1
 O    5.312100     -0.2452000      0.9106000    
 O   0.8323000      0.7170000      -1.453300    
 N    2.883300     -0.7956000     -0.4675000    
 N   -2.833200     -1.8000000E-03  0.4599000    
 C    2.941900      0.1857000      0.6247000    
 C    3.905700      -1.832200     -0.2684000    
 C    1.551700      -1.390900     -0.5593000    
 C  -0.8476000     -0.4762000     -0.3163000    
 C    4.343100      0.7842000      0.7081000    
 C    5.284400      -1.186700     -0.1628000    
 C   0.5256000     -0.2974000     -0.8252000    
 C   -1.509800      -1.696700     -0.1345000    
 C   -1.651900      0.5522000      4.4799998E-02
 C   -2.774900      -1.373700      0.3612000    
 C   -1.449200       1.982900      4.7699999E-02
 C   -1.185300      -3.053300     -0.3329000    
 C   -3.735300      -2.343500      0.6695000    
 C   -2.136100      -4.034300     -2.8899999E-02
 C   -3.390800      -3.682600      0.4646000    
 C   -1.777900       2.734600      -1.078900    
 C  -0.9242000       2.607400       1.177500    
 C   -1.580900       4.115600      -1.075700    
 C  -0.7273000       3.988400       1.180900    
 C   -1.055600       4.742300      5.4200001E-02
 H    2.701200     -0.2998000       1.580100    
 H    2.243900       1.017100      0.4917000    
 H    3.904800      -2.533700      -1.110500    
 H    3.698500      -2.400500      0.6479000    
 H    1.511300      -2.088600      -1.402700    
 H    1.310000      -1.918500      0.3700000    
 H    4.595300       1.352900     -0.1953000    
 H    4.405600       1.469700       1.559300    
 H    6.039100      -1.951700      4.6100002E-02
 H    5.569200     -0.6860000      -1.096300    
 H   -3.635400      0.5164000      0.7917000    
 H  -0.2276000      -3.369400     -0.7310000    
 H   -4.712600      -2.070700       1.053400    
 H   -1.893100      -5.082300     -0.1837000    
 H   -4.114500      -4.460900      0.6931000    
 H   -2.187600       2.260700      -1.967700    
 H  -0.6617000       2.033500       2.063000    
 H   -1.836200       4.702600      -1.953000    
 H  -0.3176000       4.476500       2.060400    
 H  -0.9020000       5.817400      5.6699999E-02


%chk=000100407-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100407

0 1
O 5.941631 -0.924745 0.220147
O 1.178360 1.149700 -0.460100
N 3.092478 -0.901874 -0.347357
N -2.941097 0.096142 0.323430
C 3.658353 -0.098967 0.768027
C 3.918173 -2.109685 -0.597386
C 1.673358 -1.228575 -0.180955
C -0.722242 -0.279835 -0.062493
C 5.114014 0.274006 0.454662
C 5.370449 -1.698709 -0.892940
C 0.719317 -0.016522 -0.252665
C -1.401391 -1.573950 0.103793
C -1.721762 0.730214 0.078971
C -2.792940 -1.293723 0.334838
C -1.725618 2.210840 0.074887
C -1.010480 -2.943260 0.081031
C -3.774933 -2.287541 0.522218
C -1.980926 -3.947386 0.270762
C -3.351108 -3.630082 0.487954
C -1.012379 2.979526 -0.883620
C -2.536728 2.893337 1.029783
C -1.119828 4.385625 -0.892506
C -2.633458 4.300721 1.023815
C -1.927702 5.053608 0.057367
H 3.622818 -0.669867 1.731673
H 3.061808 0.821803 0.874646
H 3.509331 -2.654012 -1.471019
H 3.911710 -2.807790 0.279582
H 1.382201 -1.918046 -0.999066
H 1.462782 -1.772122 0.779794
H 5.140505 0.926825 -0.443549
H 5.583683 0.792194 1.306861
H 6.019168 -2.583859 -1.003471
H 5.399068 -1.093245 -1.824671
H -3.825716 0.597122 0.398663
H 0.027107 -3.241492 -0.080154
H -4.826096 -2.029138 0.691158
H -1.672891 -4.998521 0.250707
H -4.079611 -4.435299 0.630453
H -0.372386 2.472423 -1.607119
H -3.054557 2.323199 1.811323
H -0.565262 4.961538 -1.641155
H -3.246921 4.807453 1.776945
H -1.999581 6.146872 0.049933


