%chk=000253033.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253033

0 1
O -0.230876 2.652239 0.248918
O -1.525878 3.413628 1.952898
O -1.030707 -2.597598 2.432296
O 1.734712 -0.156915 1.610759
C -1.628621 0.234351 0.376992
C -2.312423 1.609322 0.521153
C -1.238010 -0.320466 1.756347
C -2.539170 -0.698835 -0.395353
C 0.959143 3.501078 0.566807
C -1.352043 2.660018 1.022537
C -0.645858 -1.707550 1.712437
C -2.306088 -0.894939 -1.765893
C -3.612502 -1.355736 0.222018
C 0.467164 -1.962987 0.707021
C 0.538499 4.960605 0.475978
C 1.898757 3.078790 -0.560303
C 1.466825 3.101840 1.942159
C -3.133790 -1.743308 -2.505647
C -4.437006 -2.205815 -0.520706
C 1.545910 -0.909514 0.677428
C -4.199611 -2.402250 -1.884516
C 2.410035 -0.861936 -0.541972
C 1.958755 -1.294698 -1.796776
C 3.708478 -0.343442 -0.409318
C 2.801513 -1.216565 -2.907943
C 4.551637 -0.272542 -1.520741
C 4.098571 -0.709220 -2.769850
H -0.682143 0.395602 -0.211405
H -2.723790 1.930410 -0.460756
H -3.183502 1.554231 1.207845
H -2.106452 -0.315236 2.448908
H -0.486513 0.357425 2.234115
H -1.486910 -0.375869 -2.260552
H -3.803800 -1.213048 1.285566
H 0.941059 -2.947857 0.937868
H 0.000141 -2.113104 -0.292800
H 0.072774 5.190291 -0.488489
H -0.198893 5.209099 1.257091
H 1.391446 5.633931 0.606833
H 1.437358 3.232563 -1.543130
H 2.150621 2.011511 -0.488219
H 2.832971 3.647929 -0.529510
H 0.744045 3.359842 2.730672
H 1.642676 2.015171 2.009476
H 2.409895 3.599803 2.186563
H -2.950130 -1.889533 -3.568808
H -5.265917 -2.717517 -0.032605
H -4.842689 -3.064770 -2.460692
H 0.947115 -1.689140 -1.910876
H 4.049375 0.005298 0.569785
H 2.449278 -1.551764 -3.882612
H 5.560613 0.124244 -1.413604
H 4.755956 -0.653367 -3.637791


%chk=000253033-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253033

0 1
O -0.367765 2.894827 0.372535
O -1.674074 3.331753 2.276320
O -0.757786 -2.564857 2.399500
O 1.826771 -0.030177 1.159755
C -1.713874 0.304475 0.330636
C -2.410437 1.679365 0.596831
C -1.187412 -0.285919 1.667377
C -2.671140 -0.617729 -0.430497
C 0.783129 3.833533 0.754083
C -1.472734 2.721812 1.199039
C -0.521860 -1.652508 1.563609
C -2.718172 -0.550753 -1.848427
C -3.554508 -1.509039 0.231838
C 0.454323 -1.916636 0.408818
C 0.249061 5.277455 0.828490
C 1.750500 3.644186 -0.426722
C 1.409068 3.352136 2.077512
C -3.621672 -1.346421 -2.586858
C -4.459940 -2.307279 -0.503818
C 1.671327 -0.981364 0.338024
C -4.499184 -2.229016 -1.914514
C 2.686421 -1.233035 -0.740191
C 2.550392 -2.277836 -1.694855
C 3.823283 -0.380128 -0.803828
C 3.530621 -2.461922 -2.692812
C 4.800815 -0.565343 -1.799930
C 4.656501 -1.607520 -2.748209
H -0.846465 0.523953 -0.321264
H -2.802072 2.067408 -0.362141
H -3.262067 1.553233 1.287260
H -1.987553 -0.355396 2.425831
H -0.414050 0.400978 2.065686
H -2.040325 0.133828 -2.375537
H -3.535348 -1.593941 1.323810
H 0.800214 -2.963311 0.499887
H -0.103235 -1.845216 -0.548275
H -0.250281 5.556905 -0.116474
H -0.463237 5.393802 1.660150
H 1.095463 5.970530 0.988342
H 1.263342 3.916826 -1.379000
H 2.082339 2.593277 -0.487126
H 2.638076 4.287533 -0.288529
H 0.715020 3.492691 2.921011
H 1.686186 2.286175 2.004373
H 2.326276 3.936470 2.278109
H -3.640601 -1.280587 -3.680705
H -5.131615 -2.992809 0.025107
H -5.201287 -2.849221 -2.482814
H 1.685721 -2.948972 -1.666825
H 3.915358 0.415217 -0.056498
H 3.419741 -3.269220 -3.424608
H 5.673708 0.094994 -1.840557
H 5.417038 -1.753506 -3.523319


