%chk=000245610.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245610

0 1
O 3.574846 -2.331339 -0.263742
O 5.553245 -0.269920 -0.329264
O -5.841512 -0.445335 -1.746046
N -0.562067 -1.433648 2.622669
C -0.475706 0.954042 1.546522
C -0.013568 0.870750 0.075393
C -1.852620 1.646519 1.683941
C 1.461585 0.596233 -0.026658
C -2.915933 1.055665 0.800441
C 1.923488 -0.727346 -0.091177
C 2.375112 1.654114 -0.056712
C -3.266541 1.694169 -0.404750
C -3.571513 -0.126071 1.169515
C -0.521624 -0.383064 2.144152
C 3.294689 -0.988388 -0.193954
C 3.750901 1.405600 -0.155276
C 4.219093 0.094720 -0.225398
C -4.249783 1.163099 -1.230376
C -4.563302 -0.682321 0.356137
C -4.891428 -0.030507 -0.838117
C 4.964916 -2.740750 -0.310913
C 6.533066 0.795430 -0.338009
C -6.556061 -1.672241 -1.462549
H 0.278003 1.561452 2.124304
H -0.267058 1.818003 -0.444085
H -0.599100 0.093371 -0.462520
H -2.179688 1.605267 2.745347
H -1.727952 2.727681 1.466378
H 1.231119 -1.569903 -0.057082
H 2.026056 2.682603 -0.006589
H -2.765034 2.616415 -0.696943
H -3.307560 -0.629534 2.101463
H 4.439661 2.245883 -0.178384
H -4.534292 1.641540 -2.164503
H -5.055388 -1.600863 0.658073
H 5.489973 -2.395781 0.585695
H 5.438677 -2.352363 -1.218828
H 4.875536 -3.832714 -0.333779
H 6.493102 1.359175 0.598328
H 6.388189 1.439637 -1.209936
H 7.471615 0.232271 -0.417695
H -7.134635 -1.570736 -0.540084
H -5.861273 -2.515978 -1.418819
H -7.217535 -1.752735 -2.335069


%chk=000245610-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245610

0 1
O 3.588335 -2.140968 -0.989872
O 5.658951 -0.266442 -0.489965
O -5.897523 -0.666752 -1.751842
N -0.360930 -1.423923 2.393292
C -0.445516 1.095153 1.507556
C 0.094195 1.212731 0.040847
C -1.890882 1.693681 1.668288
C 1.563568 0.846955 -0.096328
C -2.957128 1.050419 0.794037
C 1.956989 -0.468358 -0.445598
C 2.575990 1.804572 0.149447
C -3.344302 1.642764 -0.438938
C -3.591742 -0.156354 1.177929
C -0.390792 -0.299543 1.993403
C 3.314186 -0.833397 -0.554354
C 3.942498 1.462045 0.043384
C 4.326112 0.148950 -0.316922
C -4.320043 1.052183 -1.262158
C -4.572702 -0.767495 0.364688
C -4.936809 -0.159836 -0.862585
C 4.499975 -2.958074 -0.161174
C 6.705795 0.746839 -0.341087
C -6.556039 -1.924117 -1.389990
H 0.229451 1.683709 2.163219
H -0.064818 2.264647 -0.266359
H -0.532363 0.584271 -0.615819
H -2.172119 1.616860 2.735439
H -1.811599 2.771901 1.431121
H 1.211964 -1.247645 -0.639027
H 2.302492 2.833543 0.414247
H -2.877614 2.583718 -0.756018
H -3.315323 -0.634763 2.124700
H 4.701906 2.228879 0.223738
H -4.622173 1.507363 -2.210201
H -5.038711 -1.700553 0.694932
H 4.085192 -3.077803 0.858336
H 5.504263 -2.505865 -0.113707
H 4.538564 -3.935858 -0.665022
H 6.729998 1.156624 0.687617
H 6.570259 1.571803 -1.067052
H 7.647272 0.218400 -0.551595
H -7.125094 -1.823834 -0.445069
H -5.823903 -2.749657 -1.295991
H -7.248130 -2.134671 -2.218444


