%chk=000117191.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000117191

0 1
O -1.580481 -0.649635 -0.676170
O 3.261623 -0.079031 -0.614872
O -2.275568 -0.411509 1.500432
O 3.833967 0.299690 1.582981
N -3.409316 0.608384 -0.288156
N 4.797724 1.505896 -0.161319
C 0.823160 -0.225466 -0.572077
C 0.658731 1.093258 0.216587
C -0.313841 -1.223978 -0.239532
C 2.150850 -0.935368 -0.208119
C 0.806928 0.077547 -2.077783
C 0.659556 0.934798 1.731844
C -2.430336 -0.183214 0.319454
C 3.959814 0.550128 0.402947
C -4.685233 0.830710 0.443253
C -5.727560 -0.242971 0.146934
H -0.286533 1.579250 -0.101766
H 1.470489 1.787563 -0.081841
H -0.362368 -1.467063 0.839503
H -0.258137 -2.148102 -0.840521
H 2.327872 -1.843710 -0.809824
H 2.226985 -1.165703 0.871970
H 0.920625 -0.828133 -2.681433
H -0.140494 0.546763 -2.370906
H 1.625505 0.755240 -2.349400
H 1.602027 0.507986 2.104618
H 0.538312 1.906406 2.225006
H -0.166965 0.299155 2.082339
H -3.480284 0.565028 -1.306397
H -5.057562 1.837965 0.145923
H -4.468775 0.872444 1.538908
H -5.973970 -0.304445 -0.918918
H -5.386483 -1.237689 0.463960
H -6.662075 -0.040153 0.685348
H 4.925269 1.540118 -1.161214
H 5.545544 1.882544 0.403543


%chk=000117191-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117191

0 1
O -1.584837 -0.440968 -0.672023
O 3.361807 -0.021553 -0.596999
O -2.414507 -0.626476 1.541307
O 4.088636 0.073147 1.655538
N -3.683260 0.288611 -0.215671
N 5.284862 1.072664 -0.097860
C 0.872590 -0.066243 -0.622953
C 0.736684 1.299854 0.118158
C -0.288565 -1.027934 -0.257514
C 2.168095 -0.810959 -0.206804
C 0.881480 0.182335 -2.154278
C 0.678047 1.252310 1.662958
C -2.563865 -0.286756 0.338395
C 4.239557 0.354242 0.440616
C -4.907856 0.539081 0.560032
C -6.082364 -0.366195 0.133009
H -0.176061 1.794756 -0.267531
H 1.589404 1.933351 -0.197032
H -0.331440 -1.240095 0.825902
H -0.194023 -1.978266 -0.816151
H 2.256523 -1.770013 -0.750482
H 2.213026 -0.996842 0.881360
H 0.982427 -0.767149 -2.714652
H -0.060106 0.664661 -2.468503
H 1.726910 0.834599 -2.433058
H 1.594792 0.816354 2.098453
H 0.584322 2.279020 2.063148
H -0.193557 0.679200 2.026598
H -3.660237 0.488251 -1.216575
H -5.191319 1.604890 0.458880
H -4.650855 0.360717 1.617739
H -6.347733 -0.211107 -0.929371
H -5.824595 -1.430158 0.274022
H -6.977374 -0.141393 0.741605
H 5.331000 1.244271 -1.099111
H 6.011391 1.414494 0.524149


