%chk=000256025.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256025

0 1
I 2.453169 -2.482483 2.226682
O -1.326628 -0.075930 -1.310903
O -2.398401 2.437209 0.479865
O -1.945348 -0.835498 1.826496
O -4.727250 -1.003220 -0.557790
O 1.525262 2.188997 -1.658980
O 4.516356 -0.582727 0.401166
N 0.657985 0.597216 -0.215469
N 3.030981 0.786164 -0.609966
C -1.618218 1.273743 0.662694
C -2.497564 0.001662 0.805484
C -0.728581 1.003655 -0.584735
C -2.305306 -0.792719 -0.504157
C -3.570913 -0.837536 -1.379570
C 1.744711 1.264613 -0.903715
C 0.902357 -0.482846 0.642978
C 2.165468 -0.908274 0.900044
C 3.346337 -0.313692 0.285815
H -1.035752 1.502886 1.585183
H -3.563143 0.236753 1.024847
H -0.681035 1.860879 -1.310911
H -1.873909 -1.799709 -0.310761
H -3.510804 -1.634396 -2.141137
H -3.745617 0.130885 -1.890032
H -2.994197 2.360219 -0.302305
H -2.290646 -0.582789 2.711380
H 0.011189 -0.952758 1.110971
H 3.820524 1.254368 -1.083756
H -4.800628 -1.931574 -0.246419


%chk=000256025-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256025

0 1
I 2.400672 -2.494322 2.366118
O -1.446546 0.212717 -1.397903
O -2.493957 2.536966 0.426893
O -1.959372 -0.857444 1.829695
O -4.622140 -1.583402 -0.534350
O 1.589128 2.133958 -1.775885
O 4.500797 -0.817598 0.365367
N 0.662067 0.626783 -0.202719
N 2.986556 0.626490 -0.665365
C -1.638990 1.375183 0.679647
C -2.484699 0.065200 0.808576
C -0.694321 1.131213 -0.527315
C -2.332171 -0.647994 -0.557732
C -3.648071 -0.832238 -1.332951
C 1.740826 1.198165 -0.948203
C 0.876839 -0.411693 0.709405
C 2.124160 -0.934984 0.951444
C 3.310398 -0.429070 0.243823
H -1.101774 1.622999 1.608161
H -3.536737 0.322738 1.028290
H -0.526316 2.049435 -1.112076
H -1.840545 -1.626887 -0.386815
H -3.445259 -1.316767 -2.308204
H -4.123837 0.144422 -1.522282
H -2.931083 2.440317 -0.459165
H -2.263229 -0.580186 2.729345
H -0.012204 -0.779370 1.236323
H 3.777211 1.023247 -1.184683
H -4.307007 -2.514780 -0.414440


