%chk=000145059.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145059

0 1
 O    1.138000      -1.810100       2.026100    
 N   0.2275000     -0.4032000      0.4083000    
 N   -4.621400       2.803700       2.403000    
 C   -1.990200     -4.0899999E-02 -0.6219000    
 C   -2.640400      0.4102000      -1.948300    
 C  -0.4845000     -0.2008000     -0.7435000    
 C   -2.044000     -0.3166000      -3.147600    
 C   -2.409400      0.9423000      0.4798000    
 C  -0.5430000     -5.5100001E-02  -3.246100    
 C   0.1550000     -0.1812000      -1.925400    
 C   -3.923100       1.098100      0.5278000    
 C   0.7439000      0.7986000       1.071500    
 C   0.4919000      -1.660800      0.9850000    
 C  -7.0200004E-02  -2.874400      0.2482000    
 C    2.115300       1.164900      0.5825000    
 C   0.2662000      -4.192000      0.9465000    
 C   -4.312200       2.051100       1.575600    
 C    3.234800      0.6446000       1.221500    
 C    2.252100       2.020100     -0.5047000    
 C  -0.2765000      -5.385200      0.1764000    
 C    4.508900      0.9846000      0.7672000    
 C    3.526400       2.360000     -0.9590000    
 C    4.654800       1.842200     -0.3230000    
 H   -2.408200      -1.025200     -0.3744000    
 H   -3.714200      0.1918000      -1.944000    
 H   -2.521300       1.492200      -2.092200    
 H   -2.226800      -1.394500      -3.050600    
 H   -2.536800      8.6000003E-03  -4.070700    
 H   -2.056100      0.5955000       1.459300    
 H   -1.961000       1.927900      0.2997000    
 H  -0.1048000     -0.7639000      -3.957800    
 H  -0.3618000      0.9515000      -3.641000    
 H    1.233800     -0.3082000      -1.968900    
 H   -4.399700      0.1289000      0.7133000    
 H   -4.326200       1.491100     -0.4101000    
 H   0.7707000      0.6289000       2.155500    
 H   7.4800000E-02   1.651700      0.9263000    
 H   0.3409000      -2.887900     -0.7672000    
 H   -1.157900      -2.777600      0.1843000    
 H    1.353100      -4.294600       1.049100    
 H  -0.1510000      -4.194800       1.960600    
 H    3.138400     -1.8200001E-02   2.076300    
 H    1.382700       2.439800      -1.003000    
 H   0.1512000      -5.429800     -0.8303000    
 H   -1.366000      -5.330400      8.5199997E-02
 H  -2.5300000E-02  -6.316400      0.6939000    
 H    5.387600      0.5830000       1.263400    
 H    3.640000       3.029600      -1.806500    
 H    5.646800       2.107600     -0.6762000    


%chk=000145059-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000145059

0 1
O 0.873617 -1.596016 2.327726
N 0.165807 -0.317305 0.516948
N -4.951141 2.300154 2.549144
C -2.026064 -0.060847 -0.775388
C -2.546215 0.399425 -2.164917
C -0.492857 -0.169484 -0.773782
C -1.817487 -0.306668 -3.328304
C -2.536996 0.865921 0.364339
C -0.307940 0.019931 -3.298879
C 0.265136 -0.116271 -1.903603
C -4.084830 0.822825 0.505746
C 0.804169 0.893191 1.125999
C 0.262195 -1.528390 1.212869
C -0.407503 -2.761282 0.595869
C 2.183819 1.209931 0.560649
C 0.366911 -4.062164 0.909314
C -4.570910 1.634699 1.634377
C 3.281054 0.352009 0.839304
C 2.397090 2.358705 -0.240401
C -0.399415 -5.319257 0.448812
C 4.561857 0.638515 0.319597
C 3.680645 2.649186 -0.759347
C 4.766375 1.787670 -0.482230
H -2.434652 -1.077165 -0.570571
H -3.634682 0.214293 -2.240177
H -2.397983 1.495698 -2.256321
H -1.958508 -1.402423 -3.240903
H -2.257031 -0.001366 -4.296311
H -2.085878 0.558330 1.324789
H -2.220258 1.908760 0.169995
H 0.246458 -0.646515 -3.988451
H -0.131403 1.050775 -3.673000
H 1.355428 -0.190734 -1.803414
H -4.418928 -0.223205 0.654211
H -4.571875 1.188535 -0.417322
H 0.877754 0.678668 2.207447
H 0.125360 1.750289 0.973873
H -0.529192 -2.637708 -0.495440
H -1.426354 -2.841063 1.030428
H 1.358463 -4.022706 0.417444
H 0.560867 -4.100829 1.995898
H 3.119043 -0.529591 1.470131
H 1.556861 3.030766 -0.456699
H -0.595298 -5.299923 -0.640434
H -1.375103 -5.400946 0.964870
H 0.174619 -6.237349 0.670159
H 5.402764 -0.027071 0.545490
H 3.832725 3.543562 -1.374317
H 5.762285 2.011134 -0.881318


