%chk=000250398.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250398

0 1
O 3.997604 1.128563 0.441532
O 2.973593 0.892991 -2.591696
O 1.587122 -1.683966 -1.285997
O 1.747837 -1.197532 1.290732
O 3.392626 0.259947 2.481456
O 0.625837 1.260135 0.585774
O -0.744259 2.982176 0.069043
O -1.767909 -2.955121 -0.510248
O -5.243491 0.187734 -0.032225
O -4.444341 -2.315594 -0.409862
C 2.389458 0.601812 -1.321779
C 2.725489 -0.866987 -0.955979
C 2.868457 1.633523 -0.278086
C 2.957193 -1.145682 0.539375
C 3.868703 -0.074201 1.208729
C 1.778245 2.141348 0.678041
C -0.606378 1.794649 0.212171
C -1.584007 0.688716 0.054438
C -2.949138 1.002469 0.097297
C -1.145630 -0.622608 -0.150308
C -2.094396 -1.636792 -0.304091
C -3.893170 -0.021103 -0.060546
C -3.480657 -1.363130 -0.262580
H 1.295573 0.711231 -1.535019
H 3.602642 -1.211553 -1.553084
H 3.340187 2.508429 -0.802968
H 3.380158 -2.169854 0.688927
H 4.936978 -0.358111 1.339867
H 1.473273 3.182659 0.455388
H 2.106535 2.066376 1.736892
H 3.952119 0.973117 -2.527868
H 1.454811 -1.686609 -2.263674
H 1.049884 -0.589731 0.890640
H 2.429187 -0.004265 2.607054
H -3.268044 2.034917 0.246637
H -0.072345 -0.865504 -0.192483
H -0.779576 -3.094544 -0.457028
H -5.460294 1.148262 0.109715
H -4.021972 -3.219967 -0.524984


%chk=000250398-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250398

0 1
O 4.105494 1.160987 0.377447
O 2.941416 0.756332 -2.698487
O 1.858090 -1.886419 -1.392909
O 1.700922 -1.031407 1.411915
O 3.638767 0.262794 2.577361
O 0.632862 1.250961 0.647106
O -0.922149 2.985508 0.434378
O -1.928419 -2.968934 -0.702518
O -5.385956 0.240770 -0.036116
O -4.540957 -2.316553 -0.597131
C 2.419289 0.536278 -1.337335
C 2.812449 -0.895776 -0.872288
C 2.900247 1.626901 -0.340390
C 2.947213 -1.095986 0.647415
C 3.981834 -0.053457 1.220737
C 1.782097 2.197937 0.581282
C -0.690053 1.757306 0.417868
C -1.654833 0.667476 0.170199
C -3.038588 0.989048 0.197513
C -1.236993 -0.655607 -0.131664
C -2.212486 -1.626940 -0.384159
C -4.009584 -0.000922 -0.054343
C -3.600930 -1.331290 -0.346691
H 1.329084 0.587403 -1.474802
H 3.825129 -1.095592 -1.289623
H 3.289832 2.473910 -0.932753
H 3.325642 -2.113979 0.832800
H 5.013577 -0.440314 1.210126
H 1.389926 3.154655 0.197085
H 2.170577 2.340232 1.602694
H 3.931985 0.808182 -2.656393
H 1.831828 -1.778887 -2.379200
H 1.153615 -0.224466 1.139545
H 2.721068 -0.118123 2.733650
H -3.332927 2.022458 0.415966
H -0.182701 -0.935725 -0.197505
H -0.956311 -3.150714 -0.680263
H -5.570259 1.189660 0.176020
H -4.061894 -3.171504 -0.773334


