%chk=000212948.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212948

1 1
O 1.600831 -0.968969 -1.199686
N -2.071660 -0.273423 0.304432
C -1.261561 1.061062 0.205473
C -0.538648 1.178194 -1.151092
C -3.139910 -0.354283 -0.763138
C -1.132384 -1.451641 0.155550
C -2.732948 -0.376043 1.664815
C -2.160626 2.262358 0.456914
C 0.975658 1.368623 -0.983039
C 1.640321 0.187692 -0.392811
C 2.316941 -0.073258 0.769756
C 2.746587 -1.451233 0.705664
C 2.304864 -1.953020 -0.487033
H -0.496251 0.998844 1.032618
H -0.713200 0.297900 -1.806297
H -0.942913 2.036267 -1.732773
H -2.704814 -0.313345 -1.779856
H -3.718936 -1.294530 -0.695659
H -3.860699 0.481077 -0.681456
H -1.663682 -2.417199 0.218969
H -0.591296 -1.432594 -0.816987
H -0.344829 -1.448982 0.935711
H -1.993850 -0.290550 2.483431
H -3.489335 0.417196 1.816001
H -3.251596 -1.344880 1.795451
H -1.565915 3.194548 0.410472
H -2.624992 2.269780 1.452258
H -2.958845 2.385779 -0.287461
H 1.199593 2.275001 -0.376513
H 1.429585 1.581968 -1.983908
H 2.540268 0.599916 1.576772
H 3.324343 -1.952835 1.462973
H 2.378199 -2.879721 -1.014650


%chk=000212948-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212948

1 1
O 1.634867 -0.983406 -0.897009
N -2.318017 -0.365973 0.226827
C -1.225640 0.787406 0.229315
C -0.567160 0.961678 -1.163256
C -3.325986 -0.184129 -0.903901
C -1.614419 -1.718474 0.076313
C -3.071210 -0.385936 1.556300
C -1.790563 2.117668 0.755691
C 0.925181 1.388117 -1.037872
C 1.781709 0.337536 -0.393108
C 2.770078 0.343136 0.576448
C 3.280418 -1.011039 0.689577
C 2.576457 -1.785559 -0.211241
H -0.466983 0.398914 0.937051
H -0.580300 0.027598 -1.751440
H -1.115935 1.723702 -1.746230
H -2.819488 -0.295514 -1.871976
H -4.107371 -0.953756 -0.805732
H -3.781421 0.814021 -0.830855
H -2.377049 -2.501700 -0.055865
H -0.934307 -1.699664 -0.785470
H -1.029099 -1.914407 0.987689
H -2.344746 -0.383875 2.383108
H -3.724958 0.493725 1.627283
H -3.680348 -1.302319 1.599720
H -0.989459 2.873752 0.681223
H -2.092629 2.082711 1.814429
H -2.633947 2.491982 0.148318
H 1.024955 2.325197 -0.460917
H 1.295335 1.611657 -2.057211
H 3.117417 1.212346 1.132430
H 4.075188 -1.354162 1.348544
H 2.607730 -2.831533 -0.503284


