%chk=000187516.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187516

0 1
O -2.621867 2.047332 -1.481618
O -1.894981 1.384644 2.034601
O -4.172916 0.131038 -1.539806
O -3.699857 -0.814791 1.851059
C -2.935214 1.672853 -0.141176
C -1.610100 1.395265 0.618082
C -3.921970 0.476713 -0.170090
C -3.392981 -0.839602 0.459218
C -1.048038 0.027421 0.320911
C -1.909389 -1.037370 0.240305
C 0.375703 -0.157427 0.127594
C 0.855297 -1.479785 -0.152728
C -1.419629 -2.359504 -0.037226
C -0.087967 -2.571299 -0.226321
C 1.297176 0.898573 0.201303
C 2.227752 -1.696846 -0.348742
C 2.668300 0.683500 0.006284
C 3.143686 -0.638871 -0.274411
C 3.625241 1.764784 0.080478
C 4.561064 -0.842017 -0.472982
C 4.953431 1.531865 -0.112814
C 5.430449 0.203767 -0.394848
H -3.426035 2.586041 0.265812
H -0.880272 2.210948 0.399577
H -4.885990 0.749070 0.317733
H -4.000605 -1.696534 0.075164
H -2.137035 -3.179438 -0.084402
H 0.298954 -3.569067 -0.435013
H 0.942431 1.908246 0.417408
H 2.586409 -2.704273 -0.561000
H -2.289630 1.254611 -1.983920
H -2.025471 2.293640 2.369951
H -4.497785 0.923890 -2.032437
H -3.086529 -0.187051 2.331856
H 3.251766 2.764979 0.294988
H 4.908108 -1.852425 -0.685183
H 5.683300 2.338518 -0.059103
H 6.500293 0.063101 -0.542299


%chk=000187516-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187516

0 1
O -2.698064 2.470404 -1.241642
O -1.869135 1.347033 2.191177
O -3.702571 0.213962 -1.786495
O -3.771614 -0.597454 1.893536
C -2.987377 1.722310 -0.024631
C -1.642956 1.397034 0.699150
C -3.866696 0.459888 -0.333628
C -3.411507 -0.780044 0.475539
C -1.045453 0.055896 0.334771
C -1.928736 -1.029139 0.256170
C 0.375955 -0.138131 0.131925
C 0.855511 -1.485264 -0.179566
C -1.443535 -2.345895 -0.037673
C -0.090484 -2.568123 -0.252456
C 1.330176 0.906830 0.221722
C 2.237243 -1.707104 -0.396631
C 2.713160 0.684992 0.007115
C 3.183052 -0.658252 -0.314415
C 3.679007 1.751251 0.097164
C 4.591805 -0.870173 -0.532721
C 5.031998 1.510074 -0.119483
C 5.493965 0.184581 -0.438451
H -3.564299 2.397739 0.636998
H -0.967803 2.238246 0.469943
H -4.927493 0.669238 -0.097574
H -4.000178 -1.660337 0.159966
H -2.159054 -3.174576 -0.086631
H 0.279882 -3.574410 -0.480652
H 1.007870 1.924538 0.465870
H 2.580733 -2.722357 -0.632576
H -2.886313 1.843987 -1.998746
H -2.053217 2.263264 2.522876
H -4.452701 -0.327068 -2.129918
H -3.114575 0.058432 2.287125
H 3.327688 2.761511 0.338817
H 4.941624 -1.880931 -0.774633
H 5.756207 2.328985 -0.049079
H 6.562985 0.013564 -0.606060


