%chk=000061066.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000061066

0 1
 O   -4.130500     -0.1011000      0.9076000    
 N    3.090700       1.299800      0.2219000    
 C   0.7974000     -0.7508000      0.7310000    
 C    1.787900     -0.5938000     -0.4161000    
 C    1.861500      0.9541000     -0.4738000    
 C    1.506900     -1.0000000E-03   1.960800    
 C   0.6223000      -2.257500       1.035700    
 C    1.443000      -1.402900      -1.680600    
 C  -0.5266000     -3.8600001E-02  0.2291000    
 C   0.8349000       1.468300      -1.460900    
 C    2.923500      0.7152000       1.620200    
 C   0.2739000      -3.089100     -0.2036000    
 C    1.284800      -2.883300      -1.330800    
 C  -0.5068000      0.9406000     -0.8529000    
 C   -1.759600     -0.3499000      0.8155000    
 C    3.349900       2.734000      0.2525000    
 C   -1.703500       1.490400      -1.323500    
 C   -2.938500      0.2249000      0.3325000    
 C   -2.912400       1.126100     -0.7340000    
 C   -5.298700      0.5143000      0.3694000    
 H    2.759200      -1.020000     -0.1170000    
 H    1.289900       1.450500      0.3271000    
 H    1.690500     -0.7073000       2.779700    
 H   0.8272000      0.7620000       2.363400    
 H  -0.1299000      -2.423800       1.814100    
 H    1.563500      -2.650500       1.445000    
 H    2.243300      -1.283600      -2.420400    
 H   0.5194000      -1.077000      -2.166800    
 H   0.9886000       1.114000      -2.483400    
 H   0.8169000       2.565100      -1.472400    
 H    3.111700       1.474100       2.390000    
 H    3.710300     -4.0700000E-02   1.737400    
 H  -0.7300000      -2.831900     -0.5604000    
 H   0.2466000      -4.150500      6.8800002E-02
 H    2.256200      -3.293500      -1.028200    
 H   0.9673000      -3.441000      -2.219100    
 H   -1.821300      -1.044600       1.647800    
 H    4.296900       2.935800      0.7647000    
 H    2.558400       3.296000      0.7613000    
 H    3.449600       3.124200     -0.7661000    
 H   -1.696500       2.216800      -2.131500    
 H   -3.798200       1.596900      -1.147100    
 H   -5.465800      0.2212000     -0.6727000    
 H   -5.278200       1.601800      0.4986000    
 H   -6.153100      0.1424000      0.9445000    


%chk=000061066-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000061066

0 1
O -4.104230 -0.107812 0.940319
N 3.167139 1.348998 0.180959
C 0.811497 -0.740093 0.746810
C 1.805189 -0.591432 -0.419447
C 1.848462 0.970910 -0.408747
C 1.593545 0.015820 1.943662
C 0.543992 -2.231844 1.078579
C 1.428890 -1.391642 -1.685423
C -0.476306 0.010681 0.197635
C 0.922782 1.477963 -1.520011
C 3.042356 0.613268 1.549150
C 0.180768 -3.052843 -0.185079
C 1.246656 -2.883836 -1.298521
C -0.432620 0.936787 -0.936311
C -1.733829 -0.278995 0.762155
C 3.297678 2.816182 0.352624
C -1.644498 1.462791 -1.423306
C -2.935571 0.278382 0.256954
C -2.902497 1.145035 -0.856369
C -5.374372 0.426577 0.447818
H 2.797347 -0.973844 -0.122158
H 1.186640 1.310941 0.416811
H 1.793333 -0.715032 2.752973
H 0.953498 0.800812 2.387771
H -0.235208 -2.349671 1.856495
H 1.478764 -2.645555 1.511909
H 2.225330 -1.287939 -2.448119
H 0.488730 -1.032216 -2.141142
H 1.135898 1.086806 -2.531535
H 0.865898 2.581635 -1.582410
H 3.348485 1.316882 2.347944
H 3.769925 -0.217437 1.551628
H -0.804450 -2.724031 -0.569973
H 0.079776 -4.122502 0.083793
H 2.214693 -3.296137 -0.943457
H 0.956898 -3.472247 -2.190734
H -1.820272 -0.963512 1.611844
H 4.221816 3.046061 0.911394
H 2.434754 3.287437 0.891087
H 3.378021 3.288357 -0.642820
H -1.609695 2.163861 -2.266749
H -3.813927 1.582985 -1.273695
H -5.567584 0.109543 -0.596005
H -5.398285 1.532612 0.507344
H -6.142817 0.003396 1.111656


