%chk=000039011.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039011

0 1
 O    4.104100      0.7499000     -0.5076000    
 N  -0.3130000     -3.8699999E-02  0.7383000    
 N   -4.961400      0.6286000     -0.7308000    
 C   -1.690500      0.1431000       1.150500    
 C   0.5835000      0.9845000      0.5388000    
 C   0.2735000      -1.257600      0.4918000    
 C    1.791600      0.4051000      0.1497000    
 C    1.595500      -1.012300      0.1202000    
 C   -2.632300      0.2999000     -4.3000001E-02
 C   -4.073900      0.5018000      0.4190000    
 C    2.888800       1.249900     -0.1196000    
 C   0.4157000       2.367500      0.6726000    
 C  -0.2641000      -2.547500      0.5695000    
 C    2.424200      -2.111300     -0.1897000    
 C    2.736200       2.635000      9.6000005E-03
 C    1.516900       3.183300      0.3998000    
 C   0.5761000      -3.619700      0.2576000    
 C    1.900800      -3.407100     -0.1165000    
 C   -6.349800      0.7891000     -0.2950000    
 C   -4.836800     -0.5358000      -1.609400    
 C    4.314700      0.5923000      -1.905700    
 H   -1.980200     -0.7132000       1.769600    
 H   -1.739700       1.019900       1.805600    
 H   -2.313600       1.146400     -0.6647000    
 H   -2.520300     -0.6043000     -0.6506000    
 H   -4.126100       1.413700       1.026700    
 H   -4.376000     -0.3358000       1.061800    
 H  -0.5298000       2.807400      0.9710000    
 H   -1.295200      -2.726200      0.8550000    
 H    3.460800      -1.969000     -0.4798000    
 H    3.575500       3.295300     -0.1955000    
 H    1.418800       4.261900      0.4930000    
 H   0.1887000      -4.634100      0.3072000    
 H    2.536500      -4.255900     -0.3541000    
 H   -6.452200       1.672200      0.3455000    
 H   -6.713000     -8.3700001E-02  0.2597000    
 H   -7.008200      0.9502000      -1.156000    
 H   -5.631200     -0.5281000      -2.366100    
 H   -4.911000      -1.484600      -1.065500    
 H   -3.907300     -0.5144000      -2.186900    
 H    3.527600     -2.0300001E-02  -2.356700    
 H    5.275000      9.0899996E-02  -2.054300    
 H    4.352300       1.570200      -2.396100    


%chk=000039011-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039011

0 1
O 4.019246 0.406659 -0.966188
N -0.350874 -0.131464 0.653211
N -5.180500 0.588217 -0.591978
C -1.729279 0.086337 1.102688
C 0.550171 0.878196 0.264785
C 0.267229 -1.385018 0.472252
C 1.776917 0.260257 -0.150937
C 1.603950 -1.176942 -0.022038
C -2.750372 0.150360 -0.059845
C -4.188277 0.313426 0.472924
C 2.851131 1.082607 -0.576901
C 0.371892 2.281098 0.258828
C -0.244304 -2.678777 0.710127
C 2.436495 -2.293305 -0.273772
C 2.692637 2.488379 -0.584938
C 1.460860 3.065933 -0.169687
C 0.605595 -3.777223 0.451706
C 1.929960 -3.588980 -0.033755
C -6.479896 1.012820 -0.030272
C -5.339327 -0.529395 -1.545405
C 5.153227 1.221896 -1.408135
H -2.000764 -0.729869 1.798939
H -1.762969 1.025581 1.686991
H -2.515388 1.004052 -0.721958
H -2.652996 -0.771289 -0.663111
H -4.213114 1.172651 1.173400
H -4.465709 -0.597748 1.071873
H -0.568210 2.748768 0.565894
H -1.263233 -2.838592 1.078633
H 3.452364 -2.139400 -0.647686
H 3.504696 3.144884 -0.909172
H 1.359769 4.156984 -0.188643
H 0.235230 -4.793832 0.627139
H 2.561335 -4.463779 -0.224407
H -6.337004 1.902345 0.609207
H -6.980414 0.221072 0.584929
H -7.166328 1.289667 -0.850314
H -6.081435 -0.250553 -2.314303
H -5.685741 -1.477232 -1.056952
H -4.386490 -0.736298 -2.060384
H 4.894072 1.818367 -2.304292
H 5.946001 0.501385 -1.657884
H 5.501044 1.896255 -0.601668


