%chk=000112979.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112979

0 1
 O    3.678800      -1.448500      1.6000000E-03
 N    3.050300      0.8183000     -8.9999998E-04
 N    6.304600     -0.8827000      4.6999999E-03
 C   -1.299400      -1.677500     -1.7000000E-03
 C  -0.3748000     -0.4781000     -1.5000000E-03
 C   -1.121000      0.7217000     -3.0000001E-04
 C   -2.662100      -1.016700     -6.9999998E-04
 C   -2.529500      0.3901000      1.9999999E-04
 C    1.009000     -0.4691000     -1.9000000E-03
 C  -0.4795000       1.949200      3.9999999E-04
 C    1.655400      0.7683000     -1.4000000E-03
 C   -3.904500      -1.625900     -3.0000001E-04
 C   -3.651400       1.202300      1.6000000E-03
 C   0.9186000       1.965400     -1.9999999E-04
 C   -5.035000     -0.8069000      1.1000000E-03
 C   -4.909800      0.5929000      2.0999999E-03
 C    3.958900     -0.2539000     -1.9000000E-03
 C    5.391300      0.2511000     -7.9999998E-04
 H   -1.158200      -2.275700      0.9031000    
 H   -1.159000      -2.274800     -0.9072000    
 H    1.503700      -1.428200     -2.9000000E-03
 H   -1.034600       2.881300      1.4000000E-03
 H   -4.002800      -2.705800     -1.0000000E-03
 H   -3.570800       2.284200      2.4000001E-03
 H    1.431500       2.924800      5.0000002E-04
 H   -6.025000      -1.255500      1.5000000E-03
 H   -5.805000       1.209400      3.3000000E-03
 H    3.450100       1.754400     -1.0000000E-03
 H    5.558500      0.8685000      0.8873000    
 H    5.561600      0.8625000     -0.8925000    
 H    6.132100      -1.470100     -0.8101000    
 H    6.129000      -1.464600      0.8228000    


%chk=000112979-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000112979

0 1
O 3.756805 -1.479715 -0.000540
N 3.087630 0.776760 0.000588
N 6.521861 -0.780804 0.002812
C -1.397022 -1.712679 -0.000989
C -0.430932 -0.533261 -0.000275
C -1.163422 0.692526 0.000507
C -2.763739 -1.036287 -0.000488
C -2.604417 0.384652 0.000413
C 0.971836 -0.554539 -0.000288
C -0.470440 1.923213 0.001196
C 1.663905 0.689463 0.000449
C -4.046771 -1.609894 -0.000777
C -3.734774 1.232443 0.001060
C 0.938354 1.915269 0.001144
C -5.181074 -0.758336 -0.000136
C -5.023918 0.650372 0.000784
C 4.034757 -0.244661 0.000549
C 5.507452 0.269195 -0.001867
H -1.253760 -2.360515 0.885913
H -1.253841 -2.359354 -0.888754
H 1.541277 -1.485897 -0.000761
H -1.010084 2.876410 0.001787
H -4.175607 -2.698484 -0.001478
H -3.621943 2.322610 0.001772
H 1.486008 2.867035 0.001691
H -6.187713 -1.191204 -0.000345
H -5.911535 1.293124 0.001288
H 3.460330 1.730761 0.000811
H 5.656237 0.921060 0.882277
H 5.655876 0.912688 -0.892188
H 6.479313 -1.374949 -0.832763
H 6.480349 -1.366604 0.844306


