%chk=000064230.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064230

1 1
 O  -0.2284000     -9.0300001E-02  -1.473200    
 N   0.5946000     -0.1516000      0.6990000    
 N   -4.251300     -0.4456000      9.2699997E-02
 C    2.000500     -4.1700002E-02  0.3764000    
 C    3.767100       1.395800     -0.7289000    
 C    4.343700      5.9900001E-02   1.329500    
 C    3.928200      -1.116800     -0.8613000    
 C    2.273200       1.276600     -0.3816000    
 C    2.847500     -5.3900000E-02   1.668300    
 C    2.433500      -1.226600     -0.5138000    
 C    4.591300       1.374000      0.5694000    
 C    4.177900      0.2036000      -1.609700    
 C    4.751400      -1.125500      0.4380000    
 C  -0.4063000     -0.1666000     -0.2606000    
 C   -1.782200     -0.3045000      0.3724000    
 C   -2.920900     -0.3266000     -0.6348000    
 C   -4.486500      0.7821000      0.9964000    
 C   -5.416200     -0.4513000     -0.9185000    
 C   -5.541100       1.595400      0.2724000    
 C   -6.419600      0.5347000     -0.3537000    
 C   -4.256400      -1.720900      0.9215000    
 H    3.949000       2.333400      -1.266000    
 H    4.934100      4.9199998E-02   2.252400    
 H    4.225000      -1.962200      -1.492100    
 H    1.964400       2.134500      0.2304000    
 H    1.697100       1.343300      -1.310800    
 H    2.663700     -0.9766000       2.234500    
 H    2.550800      0.7743000       2.325400    
 H    1.865100      -1.268700      -1.449200    
 H    2.241300      -2.176700      2.4000001E-03
 H    5.658500       1.476700      0.3372000    
 H    4.319000       2.228800       1.200600    
 H    3.608100      0.2165000      -2.547000    
 H    5.237700      0.2858000      -1.880300    
 H    5.821400      -1.066900      0.2037000    
 H    4.594200      -2.069200      0.9748000    
 H   0.3331000     -0.2252000       1.678300    
 H   -2.942900      0.5990000      -1.222800    
 H   -2.836900      -1.176500      -1.322600    
 H   -1.858200      0.5016000       1.105300    
 H   -1.738700      -1.248400      0.9274000    
 H   -3.584400       1.374000       1.143400    
 H   -4.862800      0.4265000       1.962200    
 H   -5.809900      -1.466900      -1.024300    
 H   -5.031000     -0.1053000      -1.884200    
 H   -5.080100       2.218900     -0.5029000    
 H   -6.095400       2.249700      0.9512000    
 H   -7.042700      5.2099999E-02  0.4087000    
 H   -7.079400      0.9396000      -1.126200    
 H   -5.281100      -1.895700       1.265900    
 H   -3.929200      -2.552600      0.2909000    
 H   -3.611400      -1.598000       1.795200    


%chk=000064230-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000064230

1 1
O -0.834244 0.035863 -0.680581
N 0.630381 -0.857275 0.913465
N -4.140777 -0.376575 0.429656
C 1.933596 -0.305774 0.410136
C 3.296752 1.785443 -0.043525
C 4.420208 -0.269330 0.929279
C 3.626635 -0.280414 -1.478093
C 1.911579 1.250196 0.414434
C 3.036324 -0.806430 1.384042
C 2.242775 -0.824420 -1.025141
C 4.395319 1.283402 0.931593
C 3.598454 1.272374 -1.478034
C 4.725422 -0.783658 -0.503945
C -0.604575 -0.643059 0.377631
C -1.779143 -1.281489 1.169220
C -3.039296 -1.459401 0.299232
C -3.694781 1.019579 -0.141473
C -5.356968 -0.809851 -0.453396
C -4.572983 1.260474 -1.383671
C -5.879868 0.489890 -1.078000
C -4.601893 -0.232223 1.873073
H 3.270885 2.891967 -0.040202
H 5.193910 -0.633273 1.631584
H 3.836110 -0.649632 -2.500194
H 1.681986 1.612489 1.436721
H 1.116314 1.610805 -0.262658
H 3.051189 -1.916231 1.396711
H 2.818233 -0.454965 2.413995
H 1.448901 -0.491320 -1.717590
H 2.250137 -1.932681 -1.022352
H 5.383860 1.675206 0.623998
H 4.200213 1.662068 1.955028
H 2.828138 1.639330 -2.184871
H 4.573195 1.667660 -1.823913
H 5.718680 -0.420107 -0.830477
H 4.765745 -1.891303 -0.513197
H 0.694351 -1.447304 1.748863
H -2.745007 -1.451195 -0.764198
H -3.546363 -2.411757 0.532331
H -1.970989 -0.665557 2.067520
H -1.481508 -2.275884 1.551096
H -2.615403 0.959705 -0.364829
H -3.891242 1.761940 0.648702
H -6.073918 -1.356290 0.179188
H -4.965103 -1.487713 -1.229407
H -4.086141 0.858390 -2.289893
H -4.741099 2.337016 -1.546245
H -6.521529 1.050076 -0.373756
H -6.476251 0.283473 -1.981219
H -5.507953 0.392862 1.893460
H -4.823986 -1.227208 2.290106
H -3.819874 0.257309 2.471197


