%chk=000245377.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245377

0 1
O 3.025397 2.649144 0.346003
O 0.848800 0.001664 -0.336570
O 1.551526 0.717778 1.692141
O -2.559674 -0.505406 0.425287
C 2.817621 1.394427 -0.301067
C 2.474453 1.739807 -1.759542
C 4.093418 0.523326 -0.287389
C 3.409951 0.890779 -2.632741
C 4.596647 0.483209 -1.740062
C 1.691629 0.690279 0.490728
C -0.250875 -0.739468 0.272844
C -1.349302 0.235088 0.698754
C -4.876514 -0.801209 0.477238
C -3.764187 0.167782 0.877037
C -6.253927 -0.260588 0.876290
C -7.368831 -1.224923 0.479090
H 1.411470 1.549421 -1.990996
H 2.643277 2.825086 -1.918439
H 4.849864 0.961765 0.387852
H 3.893398 -0.495293 0.088151
H 2.879678 -0.004766 -3.005326
H 3.746755 1.448008 -3.522313
H 5.438070 1.187561 -1.873354
H 4.978047 -0.515790 -2.007352
H 3.151131 2.538651 1.319091
H -0.579438 -1.388296 -0.563824
H 0.137464 -1.342912 1.109430
H -1.292556 0.494098 1.770498
H -1.336220 1.156662 0.088968
H -4.691857 -1.788843 0.945678
H -4.829220 -0.987503 -0.614549
H -3.704139 0.319077 1.968118
H -3.844555 1.141526 0.365253
H -6.426513 0.724892 0.399956
H -6.288250 -0.081421 1.969288
H -8.351685 -0.834056 0.765851
H -7.250183 -2.201466 0.963030
H -7.387469 -1.397688 -0.603352


%chk=000245377-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245377

0 1
O 3.468370 2.201625 0.725029
O 0.933143 -0.170821 -0.463301
O 1.357738 0.765910 1.630293
O -2.638359 -0.730022 0.374964
C 2.916119 1.216521 -0.216360
C 2.689818 1.939669 -1.583694
C 3.984887 0.118242 -0.526847
C 3.865285 1.498425 -2.513140
C 4.888677 0.818689 -1.565440
C 1.662673 0.608584 0.420063
C -0.277050 -0.855362 0.081853
C -1.481290 0.090386 0.017876
C -5.024405 -0.906420 0.790120
C -3.894639 0.037286 0.370609
C -6.403302 -0.205957 0.797330
C -7.544019 -1.152798 1.228250
H 1.709359 1.681886 -2.016648
H 2.709048 3.023116 -1.379769
H 4.509528 -0.194938 0.391994
H 3.494157 -0.763526 -0.981531
H 3.505633 0.765193 -3.259723
H 4.300868 2.349909 -3.064029
H 5.505342 1.581752 -1.056505
H 5.562728 0.116876 -2.087913
H 3.123897 1.973549 1.632156
H -0.427427 -1.723787 -0.576363
H -0.085224 -1.176697 1.119014
H -1.353998 0.931057 0.732189
H -1.590469 0.503533 -1.009010
H -4.798834 -1.307888 1.796868
H -5.043630 -1.770188 0.097610
H -3.812761 0.894739 1.076251
H -4.079003 0.447071 -0.648645
H -6.619101 0.195737 -0.213878
H -6.371215 0.667381 1.480455
H -8.520583 -0.635117 1.224871
H -7.370721 -1.542811 2.248686
H -7.618040 -2.020400 0.546013


