%chk=000229463.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229463

0 1
O 2.377019 -2.680785 -0.470775
N -2.057303 0.565795 0.330972
C 2.141945 0.819323 0.125732
C 3.603672 0.620559 0.041130
C 1.501114 -0.443828 -0.060220
C 3.859206 -0.766841 -0.197245
C 2.553105 -1.507059 -0.275348
C 1.390165 1.960721 0.345631
C 0.130718 -0.568876 -0.032394
C 4.649518 1.517574 0.153318
C 5.147931 -1.243829 -0.320419
C -0.637359 0.607787 0.189603
C -0.012051 1.848610 0.381443
C 5.967180 1.024680 0.026468
C 6.214218 -0.324583 -0.205121
C -2.815589 -0.052383 -0.519727
C -4.281367 -0.086120 -0.315525
C -5.092157 -0.616578 -1.335641
C -4.873981 0.391851 0.864517
C -6.477513 -0.665148 -1.172601
C -6.261754 0.338892 1.021570
C -7.064046 -0.188382 0.005667
H 1.863747 2.929453 0.493264
H -0.349626 -1.538924 -0.159720
H 4.473990 2.574727 0.334837
H 5.340472 -2.301950 -0.501597
H -0.622323 2.735348 0.564594
H 6.801191 1.722217 0.113443
H 7.237926 -0.684236 -0.299331
H -2.463909 -0.571741 -1.429318
H -4.644102 -0.989693 -2.255543
H -4.244178 0.805494 1.656639
H -7.103262 -1.075442 -1.963682
H -6.716878 0.710053 1.938831
H -8.145221 -0.228986 0.129952


%chk=000229463-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229463

0 1
O 2.289417 -2.617501 -0.770818
N -2.079682 0.713862 0.345181
C 2.171849 0.861204 0.183424
C 3.634212 0.626071 0.065355
C 1.490679 -0.354861 -0.127963
C 3.845029 -0.735151 -0.315622
C 2.510657 -1.416564 -0.452221
C 1.428037 1.998999 0.548202
C 0.096934 -0.457557 -0.099743
C 4.734932 1.479273 0.259398
C 5.132699 -1.256972 -0.507025
C -0.666209 0.701690 0.251809
C 0.017176 1.905314 0.592879
C 6.041703 0.954449 0.067920
C 6.243417 -0.395589 -0.310132
C -2.828904 -0.022984 -0.440521
C -4.291465 -0.089214 -0.295706
C -5.044781 -0.896115 -1.192667
C -4.969794 0.634374 0.726294
C -6.447939 -0.981359 -1.072362
C -6.369770 0.548519 0.843238
C -7.113779 -0.259201 -0.054481
H 1.919546 2.943011 0.806593
H -0.387035 -1.417447 -0.311886
H 4.600790 2.526523 0.551252
H 5.265862 -2.303917 -0.799028
H -0.593071 2.764545 0.888624
H 6.910070 1.606346 0.215806
H 7.261974 -0.772936 -0.449565
H -2.400225 -0.619227 -1.274596
H -4.525848 -1.455725 -1.981345
H -4.373689 1.249382 1.408039
H -7.020686 -1.606053 -1.766309
H -6.888116 1.106672 1.630797
H -8.203492 -0.324161 0.040582


