%chk=000291775.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291775

0 1
O -0.608519 2.737994 0.000524
O -0.572748 -3.767333 0.000582
O 1.642696 2.706807 -0.000940
O -2.569134 -2.706310 -0.000601
N 0.913147 -1.568184 -0.000019
C -0.823848 -0.088830 -0.000050
C 0.406328 0.637184 -0.000051
C 1.465996 -0.306442 0.000001
C -0.496199 -1.456464 -0.000064
C -2.180403 0.471840 -0.000037
C 2.919669 -0.099626 0.000119
C 0.601009 2.083008 -0.000210
C -1.365024 -2.626705 -0.000082
C -2.825807 0.741057 1.216683
C -2.827551 0.736923 -1.216736
C 3.608529 0.008151 -1.217341
C 3.609089 0.002887 1.217723
C -4.116447 1.276817 1.211518
C -4.118176 1.272718 -1.211537
C 4.991912 0.205259 -1.212030
C 4.992463 0.200025 1.212636
C -4.762805 1.542788 -0.000002
C 5.683538 0.298849 0.000351
C -0.566552 4.207288 0.000361
C -1.279100 -5.056212 0.000637
C -2.029607 4.596033 0.000981
C -0.167055 -6.082358 0.001336
H 1.398542 -2.453983 0.000055
H -2.320721 0.534771 2.158452
H -2.323868 0.527340 -2.158528
H 3.064732 -0.045893 -2.159889
H 3.065744 -0.055273 2.160278
H -4.620248 1.482970 2.153891
H -4.623328 1.475678 -2.153882
H 5.529975 0.295680 -2.154687
H 5.530962 0.286362 2.155425
H -5.769393 1.955879 0.000015
H 6.761241 0.457577 0.000449
H -0.021060 4.528608 -0.902956
H -0.020245 4.528759 0.903130
H -1.912000 -5.088995 -0.903236
H -1.912697 -5.088522 0.904039
H -2.549490 4.186960 0.879416
H -2.550261 4.186822 -0.876938
H -2.155301 5.683695 0.000943
H 0.478065 -5.976635 0.883996
H 0.478678 -5.977185 -0.880940
H -0.571630 -7.102277 0.001515


%chk=000291775-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291775

0 1
O -0.487887 2.806679 0.248552
O -0.433349 -3.746810 0.447792
O 1.140544 2.696546 -1.408056
O -2.576486 -2.793819 0.414131
N 0.828463 -1.474157 0.104616
C -0.951048 -0.087898 -0.172620
C 0.277159 0.650298 -0.370338
C 1.377712 -0.243300 -0.202555
C -0.570034 -1.421868 0.123270
C -2.321487 0.446059 -0.355633
C 2.843849 -0.075596 -0.201136
C 0.380250 2.111235 -0.589785
C -1.332320 -2.652090 0.330941
C -3.363449 0.164793 0.565568
C -2.611059 1.270010 -1.478234
C 3.503982 0.831513 -1.076226
C 3.634776 -0.873439 0.678524
C -4.652333 0.708140 0.380473
C -3.900786 1.807801 -1.667582
C 4.911820 0.926467 -1.071368
C 5.040867 -0.777288 0.674237
C -4.928211 1.533307 -0.734406
C 5.687849 0.123059 -0.204419
C -0.572560 4.283268 0.033996
C -1.065384 -5.077710 0.674865
C -1.650529 4.796177 0.983186
C 0.067566 -6.087228 0.832510
H 1.338341 -2.349511 0.227873
H -3.163319 -0.479459 1.426078
H -1.824846 1.471127 -2.215830
H 2.907961 1.455030 -1.747963
H 3.147100 -1.540565 1.400131
H -5.442697 0.481926 1.104765
H -4.106554 2.431421 -2.544974
H 5.403391 1.629143 -1.753132
H 5.629918 -1.392119 1.363759
H -5.931710 1.949326 -0.879262
H 6.780668 0.200928 -0.207918
H -0.819592 4.465522 -1.028049
H 0.421659 4.721335 0.236783
H -1.715245 -5.305013 -0.189484
H -1.703273 -5.013009 1.574991
H -1.382604 4.586529 2.032845
H -2.619276 4.313799 0.768395
H -1.766424 5.889135 0.864107
H 0.706806 -5.833619 1.695845
H 0.697286 -6.120567 -0.073285
H -0.352404 -7.096006 0.998325


