%chk=000228354.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228354

0 1
O -1.127749 2.771117 0.818449
N -0.043695 0.928365 0.029689
N 3.468126 -0.414600 -0.261789
N -3.233247 -1.183297 -0.362533
C 1.162222 0.343524 -0.598470
C -1.116959 0.010386 0.479884
C 2.229912 0.006497 0.469381
C -1.995436 -0.433594 -0.712891
C -0.152389 2.303357 0.250528
C 3.433163 -1.872920 -0.580790
C 4.690912 -0.086917 0.529720
C -4.206358 -0.336158 0.386677
C -2.940803 -2.439583 0.387246
H 0.883656 -0.568242 -1.170874
H 1.589058 1.052332 -1.344942
H -0.671612 -0.866640 0.992118
H -1.745629 0.547537 1.233911
H 2.438803 0.910430 1.080957
H 1.845338 -0.757217 1.176094
H -2.301004 0.461267 -1.302914
H -1.406686 -1.070543 -1.407818
H 0.687715 2.909459 -0.120767
H 2.539887 -2.092599 -1.186225
H 3.431246 -2.539936 0.293611
H 4.310316 -2.120889 -1.201128
H 5.581417 -0.372069 -0.054494
H 4.754227 -0.575736 1.512573
H 4.742469 1.004080 0.676817
H -3.883789 -0.031296 1.393107
H -5.156531 -0.886290 0.477921
H -4.413910 0.578505 -0.193223
H -2.210898 -3.041421 -0.175502
H -3.869783 -3.031520 0.446415
H -2.563088 -2.297189 1.409561


%chk=000228354-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228354

0 1
O -1.234188 2.974458 0.376836
N -0.022674 1.023002 -0.116697
N 3.483145 -0.487843 -0.138996
N -3.212067 -1.136241 -0.228482
C 1.215172 0.440071 -0.670595
C -1.071494 0.135382 0.428357
C 2.271933 0.147462 0.424625
C -2.118622 -0.254414 -0.668653
C -0.216615 2.392771 -0.100599
C 3.298826 -1.919543 -0.454339
C 4.687405 -0.261560 0.687784
C -4.163395 -0.532330 0.720324
C -2.819351 -2.510846 0.115781
H 0.959022 -0.487137 -1.215618
H 1.656566 1.135977 -1.406584
H -0.590122 -0.767166 0.847776
H -1.579811 0.678736 1.244367
H 2.563020 1.110496 0.883771
H 1.807533 -0.469553 1.237262
H -2.558393 0.682596 -1.058066
H -1.591558 -0.747415 -1.510311
H 0.633629 2.946273 -0.563615
H 2.455207 -2.059504 -1.151941
H 3.104873 -2.545874 0.453953
H 4.206582 -2.307456 -0.949510
H 5.573599 -0.667372 0.167355
H 4.632940 -0.741926 1.697411
H 4.844384 0.821923 0.831109
H -3.773594 -0.435093 1.763962
H -5.081587 -1.147546 0.764126
H -4.442831 0.476866 0.370149
H -2.175923 -2.924659 -0.682535
H -3.722266 -3.145895 0.184886
H -2.270442 -2.608439 1.087005


