%chk=000256586.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256586

0 1
O 3.335889 -0.334753 -1.449532
O 0.853925 -2.160775 0.776119
O 1.028604 2.398084 -0.036064
O -4.967472 0.367956 -0.279103
N 0.579604 0.133028 0.372933
C 2.795295 -0.670646 0.797753
C 2.856993 0.862703 0.500365
C 3.680020 -1.258073 -0.354903
C 3.759435 0.906772 -0.780282
C 1.327610 -1.060514 0.658337
C 1.420034 1.290249 0.223133
C 5.118857 -0.813615 -0.063772
C 5.167767 0.504575 -0.323941
C -0.854502 0.155018 0.179943
C -1.512502 -0.975183 -0.327007
C -1.580743 1.320197 0.511520
C -2.899278 -0.959089 -0.499140
C -2.956075 1.347167 0.337985
C -3.609860 0.200552 -0.166229
C -5.761014 -0.747624 -0.800747
C -7.174002 -0.199152 -0.783721
H 3.174439 -0.947676 1.800040
H 3.281119 1.461395 1.329627
H 3.480610 -2.280746 -0.678355
H 3.626537 1.742855 -1.468494
H 5.878511 -1.488896 0.275393
H 5.978247 1.202147 -0.255925
H -0.951587 -1.880107 -0.577370
H -1.062342 2.206413 0.887262
H -3.396515 -1.842573 -0.885776
H -3.542305 2.232212 0.578997
H -5.404504 -0.982674 -1.818154
H -5.628541 -1.612864 -0.129001
H -7.894045 -0.936182 -1.156079
H -7.476224 0.091855 0.232345
H -7.257685 0.704766 -1.403856


%chk=000256586-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256586

0 1
O 3.208566 -0.421458 -1.467890
O 0.855526 -2.119417 1.021986
O 1.085603 2.457918 -0.081338
O -5.015342 0.404800 -0.238162
N 0.607456 0.180113 0.439295
C 2.831191 -0.631378 0.855932
C 2.907237 0.876455 0.487565
C 3.640967 -1.297720 -0.333977
C 3.739140 0.840595 -0.862505
C 1.346107 -0.988919 0.797201
C 1.461668 1.309106 0.245524
C 5.106040 -0.885059 -0.149832
C 5.167389 0.435124 -0.478639
C -0.823580 0.210097 0.253389
C -1.485970 -0.887059 -0.342015
C -1.570116 1.342779 0.670084
C -2.884880 -0.864061 -0.519413
C -2.961418 1.372599 0.485961
C -3.627889 0.270490 -0.107094
C -5.761844 -0.712728 -0.852305
C -7.229936 -0.297659 -0.882139
H 3.242686 -0.905710 1.839235
H 3.374608 1.529068 1.240747
H 3.400560 -2.346299 -0.543982
H 3.583417 1.687530 -1.540336
H 5.896979 -1.533279 0.230023
H 6.019935 1.113909 -0.429004
H -0.916998 -1.764429 -0.656778
H -1.063509 2.199902 1.118743
H -3.374239 -1.727679 -0.977837
H -3.552331 2.239364 0.795518
H -5.373287 -0.896130 -1.875128
H -5.613614 -1.630205 -0.246427
H -7.842494 -1.099702 -1.332577
H -7.600940 -0.105179 0.138822
H -7.362387 0.621024 -1.478345


