%chk=000001253.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001253

0 1
 O    4.564800      0.3149000     -0.7119000    
 N  -0.8325000      0.4300000       2.525000    
 N    2.302900      0.5585000      -1.102000    
 C  -0.7461000     -7.8999996E-03   1.118200    
 C   -1.477900      0.4131000      -1.249100    
 C   -1.654300      0.8232000      0.1993000    
 C   -1.259400      -1.480000       1.028400    
 C   0.7093000      7.0600003E-02  0.5918000    
 C  -6.3800000E-02  0.8429000      -1.682700    
 C   0.9964000      0.4793000     -0.6663000    
 C   -1.572600      -1.949000     -0.3828000    
 C   -1.657300      -1.082900      -1.410600    
 C   -2.503200       1.800200      0.5564000    
 C    1.818900     -0.3295000       1.446100    
 C   -1.778400      -3.422900     -0.5626000    
 C    3.092600     -0.2576000       1.039900    
 C    3.400900      0.2316000     -0.3287000    
 C   -3.340400       2.565400     -0.4083000    
 H   -2.208700      0.8833000      -1.914700    
 H   -2.182300      -1.593700       1.615600    
 H  -0.5206000      -2.157600       1.477500    
 H  -4.1600000E-02   1.931300      -1.828900    
 H   0.1777000      0.3871000      -2.652000    
 H   -1.856100      -1.448400      -2.414800    
 H   -1.779100      0.3048000       2.880300    
 H  -0.6099000       1.421300       2.601000    
 H   -2.623900       2.072600       1.600200    
 H    1.602000     -0.7055000       2.440400    
 H    2.463500      0.8801000      -2.052400    
 H  -0.8737000      -3.970000     -0.2789000    
 H   -2.014600      -3.683000      -1.599700    
 H   -2.605900      -3.769000      6.4999998E-02
 H    3.914900     -0.5562000       1.678900    
 H   -4.176600       1.958600     -0.7683000    
 H   -2.758100       2.941200      -1.255000    
 H   -3.763000       3.442900      9.3500003E-02


%chk=000001253-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001253

0 1
O 4.625211 0.187456 -0.726241
N -0.853254 0.420157 2.493289
N 2.328787 0.478855 -1.074629
C -0.810785 0.018262 1.075000
C -1.453191 0.417034 -1.334951
C -1.687804 0.843535 0.106406
C -1.317951 -1.462468 0.998395
C 0.655393 0.083354 0.596655
C -0.020515 0.882999 -1.748999
C 0.992877 0.466862 -0.700369
C -1.527646 -1.960713 -0.423857
C -1.588241 -1.097112 -1.474254
C -2.546994 1.809768 0.523477
C 1.722835 -0.301418 1.483119
C -1.662434 -3.460880 -0.592493
C 3.053283 -0.282087 1.091781
C 3.446111 0.126013 -0.250155
C -3.468720 2.660863 -0.323208
H -2.175695 0.903952 -2.016067
H -2.276074 -1.539735 1.558114
H -0.594196 -2.111721 1.529262
H -0.008646 1.986200 -1.864584
H 0.250118 0.446270 -2.731472
H -1.725960 -1.486508 -2.492772
H -1.748615 0.233981 2.955422
H -0.508662 1.369725 2.670842
H -2.592212 2.012280 1.604956
H 1.444402 -0.596053 2.500834
H 2.582375 0.753142 -2.030174
H -0.735511 -3.979174 -0.276806
H -1.872584 -3.740214 -1.639317
H -2.479373 -3.861199 0.040220
H 3.862246 -0.570343 1.768299
H -4.521957 2.531061 -0.006068
H -3.410565 2.421202 -1.398519
H -3.232156 3.736356 -0.203335


