%chk=000038989.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038989

0 1
 O   -1.253200       2.581000     -0.2403000    
 N  -0.1188000     -0.2259000     -0.2989000    
 N   -3.785600     -0.6212000      0.3027000    
 C   0.5399000      0.9523000     -3.7599999E-02
 C   0.7447000      -1.294000     -0.2322000    
 C   -1.530900     -0.3425000     -0.6055000    
 C    1.875800      0.6331000      0.2074000    
 C    2.005000     -0.7869000      8.4500000E-02
 C   -2.373300     -0.5343000      0.6524000    
 C   5.6200001E-02   2.265100     -3.9999999E-04
 C   0.5049000      -2.659100     -0.4267000    
 C    2.775400       1.678300      0.5047000    
 C    3.082000      -1.689000      0.2141000    
 C   0.9666000       3.283100      0.2957000    
 C    2.306600       2.996300      0.5450000    
 C    1.587400      -3.532700     -0.2931000    
 C    2.857800      -3.057100      2.2700001E-02
 C   -4.607200     -0.7655000       1.506200    
 C   -4.023400      -1.740400     -0.6108000    
 C   -1.609800       2.859300      -1.590000    
 H   -1.863000      0.4947000      -1.207500    
 H   -1.610200      -1.202100      -1.279100    
 H   -2.041500      -1.427400       1.199100    
 H   -2.213700      0.3207000       1.321600    
 H  -0.4798000      -3.045800     -0.6659000    
 H    3.823400       1.470700      0.7014000    
 H    4.078600      -1.333400      0.4599000    
 H   0.6294000       4.316400      0.3343000    
 H    2.997100       3.803700      0.7735000    
 H    1.434000      -4.599300     -0.4361000    
 H    3.685100      -3.754700      0.1222000    
 H   -4.454000      8.4299996E-02   2.180800    
 H   -4.379400      -1.687100       2.054100    
 H   -5.672000     -0.7705000       1.248100    
 H   -3.589800      -2.679000     -0.2465000    
 H   -3.648300      -1.533300      -1.617600    
 H   -5.100400      -1.902600     -0.7421000    
 H   -1.045400       2.251600      -2.305700    
 H   -1.424700       3.917800      -1.798200    
 H   -2.678700       2.666000      -1.716800    


%chk=000038989-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038989

0 1
O -1.249093 2.357115 -0.734912
N -0.094968 -0.391122 -0.533774
N -3.819035 -0.937439 0.051315
C 0.575236 0.830299 -0.307401
C 0.815015 -1.440888 -0.300175
C -1.514923 -0.588018 -0.871391
C 1.939933 0.560938 0.053352
C 2.092494 -0.886806 0.056670
C -2.408434 -0.647933 0.393352
C 0.106612 2.170291 -0.389339
C 0.612033 -2.837077 -0.383933
C 2.837886 1.622923 0.324565
C 3.179746 -1.750142 0.326701
C 1.012246 3.217832 -0.114670
C 2.364881 2.943322 0.236487
C 1.711867 -3.678183 -0.111492
C 2.984534 -3.144385 0.240340
C -4.768882 -0.431090 1.063036
C -4.061402 -2.360294 -0.262045
C -1.735828 3.734460 -0.828064
H -1.859098 0.241144 -1.505013
H -1.598151 -1.522161 -1.454789
H -1.985780 -1.393759 1.113978
H -2.362963 0.343043 0.879125
H -0.361130 -3.264522 -0.646467
H 3.878015 1.418213 0.598167
H 4.160151 -1.343282 0.598985
H 0.680416 4.258901 -0.169565
H 3.037697 3.783133 0.440624
H 1.582381 -4.765019 -0.169093
H 3.816048 -3.826921 0.446702
H -4.614067 0.652483 1.208441
H -4.670861 -0.932435 2.059585
H -5.804511 -0.583857 0.708205
H -3.877652 -3.038202 0.610974
H -3.412931 -2.690477 -1.092025
H -5.108937 -2.494847 -0.585940
H -1.188688 4.301201 -1.606229
H -1.647205 4.258944 0.143417
H -2.795853 3.645219 -1.108304


