%chk=000094541.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094541

0 1
 O   -3.193500      -1.031500      0.6463000    
 N   -1.216900      0.6993000     -0.3705000    
 N    4.224400     -0.1964000      0.6723000    
 C   -1.959600     -0.1945000      -1.236900    
 C   0.1504000      0.4698000     -0.1113000    
 C   -1.893700       1.839400      0.2148000    
 C   -2.394900      -1.426700     -0.4621000    
 C   0.7934000     -0.6301000     -0.6792000    
 C    2.145600     -0.8564000     -0.4227000    
 C   0.8595000       1.343400      0.7131000    
 C   -1.771300       3.044500     -0.6979000    
 C    2.854900      1.7100001E-02  0.4017000    
 C    2.211900       1.116900      0.9695000    
 C    2.810200      -2.041600      -1.044200    
 C   -3.620400      -2.153100       1.407000    
 H   -1.414900     -0.4523000      -2.151900    
 H   -2.863700      0.3208000      -1.588400    
 H   -2.964000       1.614600      0.3132000    
 H   -1.583100       2.063600       1.240100    
 H   -1.539600      -2.005700     -9.9500000E-02
 H   -2.987700      -2.072300      -1.120900    
 H   0.2854000      -1.333300      -1.329700    
 H   0.4271000       2.225400       1.171100    
 H  -0.7289000       3.352500     -0.8257000    
 H   -2.179400       2.833600      -1.692300    
 H   -2.323800       3.892300     -0.2806000    
 H    2.754700       1.807200       1.610400    
 H    3.631000      -1.723600      -1.695700    
 H    3.197700      -2.713500     -0.2711000    
 H    2.116700      -2.624700      -1.660000    
 H    4.717100     -0.9844000      0.2760000    
 H    4.721600      0.4478000       1.273300    
 H   -4.233800      -1.792200       2.237000    
 H   -2.758900      -2.688800       1.817500    
 H   -4.225900      -2.826300      0.7925000    


%chk=000094541-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094541

0 1
O -3.609098 -1.051903 0.389029
N -1.161882 0.656853 -0.317651
N 4.449631 -0.068559 0.480839
C -1.930903 -0.255668 -1.165443
C 0.226506 0.475512 -0.120218
C -1.893942 1.759915 0.331588
C -2.481664 -1.498861 -0.440053
C 0.914296 -0.678771 -0.607488
C 2.302409 -0.875703 -0.428328
C 1.013682 1.438270 0.581386
C -1.871011 3.084260 -0.471647
C 3.066658 0.101181 0.278822
C 2.394586 1.247804 0.776235
C 2.981797 -2.121272 -0.970585
C -4.135709 -2.118406 1.235594
H -1.317876 -0.583420 -2.027173
H -2.798993 0.287619 -1.584859
H -2.936281 1.426340 0.477421
H -1.480729 1.923683 1.345476
H -1.695986 -1.960512 0.195521
H -2.835247 -2.254782 -1.179848
H 0.364330 -1.464679 -1.136272
H 0.557069 2.353228 0.969431
H -0.837346 3.437104 -0.634040
H -2.339604 2.946697 -1.463525
H -2.430394 3.874916 0.064067
H 2.964890 2.013365 1.318597
H 3.770554 -1.870727 -1.709816
H 3.462666 -2.712300 -0.164094
H 2.258360 -2.782779 -1.476488
H 4.940591 -0.872633 0.106510
H 4.984121 0.632661 0.983094
H -4.963305 -1.677310 1.813709
H -3.362225 -2.502769 1.934342
H -4.522350 -2.967554 0.631067


