%chk=000104435.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104435

0 1
 O   -1.494200      -1.375200      -1.793100    
 N   -4.443600      0.9958000      0.3426000    
 C   -2.317000     -0.3637000      0.2687000    
 C   -3.331600      0.5335000     -0.4835000    
 C    4.300400      0.3808000      0.2286000    
 C   -1.229900     -0.7883000     -0.7439000    
 C   -1.742600      0.3549000       1.503100    
 C   -2.991600      -1.664700      0.7573000    
 C    2.862500      7.6600000E-02 -2.4900001E-02
 C   0.1922000     -0.4878000     -0.4938000    
 C    5.228200     -0.6950000     -0.4164000    
 C    4.610800      0.4141000       1.757200    
 C    4.804600       1.753400     -0.3285000    
 C    2.312000      -1.121300      0.4312000    
 C    2.067600      0.9904000     -0.7171000    
 C   0.9670000      -1.405600      0.1948000    
 C   0.7225000      0.7061000     -0.9532000    
 C   -5.168000     -0.1414000      0.9109000    
 C   -5.349300       1.837100     -0.4400000    
 H   -2.788100       1.407300     -0.8692000    
 H   -3.710500      1.5000000E-03  -1.368300    
 H   -1.010200     -0.2671000       2.029500    
 H   -1.248000       1.291800       1.224200    
 H   -2.522000      0.6062000       2.230500    
 H   -2.216700      -2.445200      0.8209000    
 H   -3.702800      -2.084200      4.0199999E-02
 H   -3.371400      -1.649700       1.779100    
 H    6.286200     -0.4575000     -0.2553000    
 H    5.053400      -1.691400      4.1000000E-03
 H    5.058100     -0.7579000      -1.497700    
 H    4.420000     -0.5532000       2.234800    
 H    5.660900      0.6660000       1.945600    
 H    3.989200       1.161500       2.264400    
 H    5.867400       1.904400     -0.1035000    
 H    4.697200       1.808600      -1.418100    
 H    4.260200       2.593100      0.1193000    
 H    2.907500      -1.850400      0.9730000    
 H    2.443300       1.935600      -1.093000    
 H   0.5453000      -2.340400      0.5527000    
 H   0.1084000       1.422000      -1.492300    
 H   -5.366700     -0.9568000      0.2108000    
 H   -6.174900      0.1977000       1.199600    
 H   -4.775400     -0.4386000       1.881400    
 H   -4.811900       2.694700     -0.8602000    
 H   -6.140900       2.250300      0.1953000    
 H   -5.817800       1.286600      -1.264100    


%chk=000104435-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104435

0 1
O -1.635055 1.477498 -1.547643
N -4.888265 0.025393 0.595397
C -2.348310 0.176386 0.388735
C -3.753302 0.535254 -0.217804
C 4.614347 0.055193 -0.043231
C -1.265785 0.773444 -0.554862
C -2.258022 0.815886 1.805870
C -2.239069 -1.372482 0.478896
C 3.085910 0.243868 -0.174849
C 0.217109 0.549981 -0.355082
C 4.939617 -1.469288 0.008313
C 5.106832 0.731468 1.272499
C 5.391152 0.679119 -1.230942
C 2.218392 -0.245436 0.840112
C 2.479696 0.893425 -1.282848
C 0.820656 -0.101130 0.757204
C 1.083094 1.044176 -1.368820
C -5.695761 -1.012176 -0.076286
C -5.729822 1.084451 1.186956
H -3.817868 1.634932 -0.326542
H -3.803031 0.132111 -1.248693
H -1.330272 0.557249 2.341845
H -2.317686 1.918818 1.747583
H -3.115483 0.444950 2.395763
H -1.315038 -1.714994 0.971484
H -2.274915 -1.833905 -0.525888
H -3.101541 -1.735527 1.066267
H 6.029546 -1.620572 0.121838
H 4.437783 -1.966800 0.857357
H 4.613992 -1.972928 -0.920126
H 4.619583 0.298570 2.164296
H 6.198885 0.593907 1.383191
H 4.893032 1.815814 1.261945
H 6.475585 0.521405 -1.086803
H 5.111427 0.213767 -2.194004
H 5.218799 1.768643 -1.306668
H 2.639095 -0.750350 1.717271
H 3.100696 1.288898 -2.091964
H 0.211005 -0.494107 1.573326
H 0.624954 1.551104 -2.224552
H -6.275640 -0.625832 -0.952620
H -6.416681 -1.446258 0.641490
H -5.044276 -1.827169 -0.435395
H -5.102516 1.795445 1.751249
H -6.452896 0.635086 1.893012
H -6.310149 1.667314 0.427424


