%chk=000164371.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164371

0 1
 O    1.900500       1.276700      0.4810000    
 N    3.609600       1.537100      -1.033800    
 N    5.208800     -0.2320000      -1.368800    
 N    5.076100      -2.221900     -0.1923000    
 C   0.2813000       3.021900      0.8648000    
 C  -0.9072000       2.129700      0.6001000    
 C    1.517100       2.587900      8.4500000E-02
 C   -3.090300      0.4920000      0.1152000    
 C   -1.772500       2.440500     -0.4368000    
 C   -1.112200       1.016100       1.399500    
 C   -2.871200       1.616500     -0.6808000    
 C   -2.210700      0.1920000       1.155300    
 C   -4.229600     -0.3631000     -0.1385000    
 C    3.009200      0.7481000     -0.1271000    
 C    3.455500     -0.5297000      0.2008000    
 C   -5.445600     -0.1118000      0.4964000    
 C   -4.110400      -1.440200      -1.016700    
 C    4.595000      -1.000500     -0.4620000    
 C    2.816500      -1.340600       1.150400    
 C   -6.543100     -0.9377000      0.2529000    
 C   -5.207900      -2.265900      -1.260400    
 C   -6.424300      -2.014700     -0.6256000    
 C    3.320000      -2.600400       1.422700    
 C    4.690200      0.9907000      -1.608700    
 C    4.445300      -2.990600      0.7280000    
 H   0.5005000       3.010100       1.940400    
 H   2.8899999E-02   4.059800      0.6146000    
 H    2.327900       3.295100      0.3002000    
 H    1.298200       2.606500     -0.9911000    
 H   -1.608900       3.312800      -1.063100    
 H  -0.4338000      0.7732000       2.212300    
 H   -3.546800       1.864700      -1.496100    
 H   -2.366400     -0.6807000       1.785300    
 H   -5.555400      0.7233000       1.184400    
 H   -3.169300      -1.650500      -1.519600    
 H    1.930200      -1.001600       1.680200    
 H   -7.490300     -0.7424000      0.7472000    
 H   -5.115400      -3.104700      -1.944100    
 H   -7.278800      -2.657700     -0.8152000    
 H    2.850100      -3.251200       2.150100    
 H    5.204500       1.594200      -2.346600    
 H    4.891100      -3.966000      0.8939000    


%chk=000164371-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000164371

0 1
O 2.026518 1.308567 0.527283
N 3.670755 1.655319 -1.129598
N 5.291326 -0.101771 -1.670366
N 5.233019 -2.191118 -0.556038
C 0.338583 2.935303 1.178311
C -0.880386 2.078882 0.865336
C 1.529817 2.687084 0.240768
C -3.167768 0.451005 0.235725
C -1.768508 2.438062 -0.180650
C -1.155516 0.894284 1.592508
C -2.888379 1.640501 -0.492057
C -2.276931 0.095990 1.285503
C -4.355851 -0.391513 -0.085256
C 3.094913 0.860751 -0.212435
C 3.554660 -0.483325 0.052985
C -5.566102 0.194752 -0.550022
C -4.312100 -1.805577 0.065435
C 4.692397 -0.929125 -0.720602
C 2.966231 -1.366856 1.003407
C -6.690588 -0.602436 -0.853122
C -5.436203 -2.604231 -0.234806
C -6.632494 -2.007069 -0.696398
C 3.522107 -2.640432 1.157645
C 4.750237 1.117108 -1.817058
C 4.652653 -2.998991 0.356766
H 0.671282 2.773142 2.219911
H 0.081794 4.008866 1.084783
H 2.356255 3.397335 0.422930
H 1.248071 2.743686 -0.825444
H -1.580893 3.350510 -0.761203
H -0.489779 0.601325 2.413213
H -3.540092 1.929616 -1.324426
H -2.482549 -0.795668 1.888789
H -5.636733 1.284406 -0.645451
H -3.381493 -2.285450 0.389633
H 2.099728 -1.035378 1.582973
H -7.614730 -0.127768 -1.201828
H -5.376094 -3.692326 -0.118938
H -7.505387 -2.626454 -0.930528
H 3.112097 -3.360998 1.871676
H 5.207200 1.777281 -2.560628
H 5.105332 -3.992287 0.464175


