%chk=000072035.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072035

1 1
 O   -5.861100      -3.381900     -0.1588000    
 N    2.510100      0.7066000      0.7065000    
 N   -3.689800       1.649200     -0.2612000    
 N    5.842600     -0.6786000     -0.1818000    
 C   -2.212800      1.7100001E-02  8.5699998E-02
 C   -2.355000       1.395900     -4.8599999E-02
 C   0.1814000      0.3583000      0.4011000    
 C  -0.9239000     -0.5084000      0.3141000    
 C   7.4999998E-03   1.751100      0.2612000    
 C   -1.273900       2.281900      3.3399999E-02
 C   -3.513700     -0.5630000     -5.3500000E-02
 C   -4.413800      0.4806000     -0.2688000    
 C    1.468900     -0.1315000      0.6262000    
 C    3.841400      0.1548000      0.9432000    
 C    4.501400     -0.1511000     -0.3941000    
 C    1.126700       2.587300      0.3530000    
 C    2.377600       2.031100      0.5784000    
 C  -0.7228000      -1.988500      0.4640000    
 C   -1.496800       3.754400     -0.1203000    
 C   -4.008600      -1.883600     -1.5799999E-02
 C   -5.786000      0.2722000     -0.4488000    
 C    6.488900     -0.9771000      -1.461600    
 C    5.799300      -1.878800      0.6559000    
 C   -5.378400      -2.108100     -0.1943000    
 C   -6.252100      -1.044600     -0.4072000    
 C    6.545300      0.2550000      -2.348700    
 C    7.197600      -2.400500      0.9404000    
 H   -4.095100       2.564700     -0.3950000    
 H    4.419200      0.8828000       1.526300    
 H    3.683000     -0.7189000       1.582600    
 H    1.729800      -1.175500      0.7160000    
 H    3.881300     -0.8504000     -0.9704000    
 H    4.528200      0.7904000     -0.9526000    
 H    1.062100       3.666400      0.2536000    
 H    3.273400       2.636200      0.6527000    
 H   0.1334000      -2.267900       1.080800    
 H   -1.556300      -2.440000       1.004600    
 H  -0.6249000      -2.460400     -0.5181000    
 H   -2.544900       4.013800     -0.2920000    
 H   -1.185700       4.284600      0.7863000    
 H  -0.9329000       4.138700     -0.9771000    
 H   -3.362100      -2.741900      0.1240000    
 H   -6.467000       1.100300     -0.6149000    
 H    7.530100      -1.277700      -1.306700    
 H    5.983600      -1.791800      -1.995500    
 H    5.394600      -1.660500       1.647100    
 H    5.186300      -2.672100      0.2101000    
 H   -7.315700      -1.226000     -0.5451000    
 H    5.574500      0.4969000      -2.792500    
 H    6.919900       1.130500      -1.807100    
 H    7.230700      7.2600000E-02  -3.184300    
 H    7.640200      -2.904600      7.5800002E-02
 H    7.870600      -1.601500       1.270400    
 H    7.155900      -3.143900       1.744800    
 H   -6.823400      -3.359200     -0.2989000    


%chk=000072035-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072035

1 1
O -5.968496 -3.413580 0.490866
N 2.517072 0.735811 0.533765
N -3.782283 1.636726 -0.435576
N 5.792073 -0.956704 -0.397183
C -2.278944 -0.017149 0.125094
C -2.435255 1.395437 -0.219609
C 0.112895 0.351315 0.322101
C -1.012704 -0.556612 0.397653
C -0.074311 1.770761 -0.023884
C -1.362258 2.305441 -0.300263
C -3.621587 -0.605735 0.104285
C -4.528064 0.450133 -0.247990
C 1.431206 -0.090775 0.581833
C 3.891681 0.176602 0.704954
C 4.458443 -0.403711 -0.629152
C 1.106571 2.593981 -0.064590
C 2.360496 2.083636 0.202481
C -0.879994 -2.023733 0.750930
C -1.566998 3.765349 -0.657968
C -4.133162 -1.900146 0.348434
C -5.912909 0.246665 -0.361925
C 6.832350 -0.547746 -1.379981
C 5.812305 -2.396057 -0.016209
C -5.526351 -2.110013 0.235797
C -6.409826 -1.051043 -0.115653
C 7.241957 0.930683 -1.245409
C 6.984000 -2.764420 0.912719
H -4.186210 2.535871 -0.690318
H 4.558746 0.974050 1.068297
H 3.856696 -0.614921 1.472749
H 1.647764 -1.124646 0.853199
H 3.737485 -1.159596 -1.023309
H 4.508933 0.408894 -1.376768
H 1.026477 3.655465 -0.307810
H 3.270854 2.684582 0.182984
H 0.152070 -2.353000 0.939830
H -1.466205 -2.258197 1.658598
H -1.278498 -2.656018 -0.063714
H -2.625297 4.007485 -0.847560
H -1.229681 4.435740 0.153987
H -1.010751 4.043725 -1.571992
H -3.508070 -2.751012 0.622404
H -6.597025 1.057068 -0.630940
H 7.720815 -1.176861 -1.199063
H 6.502704 -0.757862 -2.425860
H 4.862352 -2.620341 0.507813
H 5.830098 -3.046119 -0.923801
H -7.486953 -1.240430 -0.196268
H 6.394769 1.616728 -1.435461
H 7.630853 1.131737 -0.232233
H 8.031024 1.176276 -1.978765
H 7.962448 -2.592211 0.430933
H 6.950822 -2.163078 1.837707
H 6.934427 -3.834558 1.184215
H -6.949752 -3.498485 0.400130


