%chk=000240963.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240963

0 1
O 2.386351 -1.666102 0.021039
O 0.179629 -0.435772 2.008903
O 4.258404 -2.173104 -1.178375
O 0.367729 -2.707623 2.100957
C -0.154626 -0.609594 -0.960776
C 1.083002 0.215991 -0.666819
C -1.274751 -0.438647 0.050793
C 1.010140 1.654225 -0.817188
C -2.634541 -0.314309 -0.428488
C 0.082234 -2.112153 -1.149721
C 2.315623 -0.308142 -0.326793
C -1.095033 -0.451141 1.416844
C 2.181957 2.444228 -0.665676
C -3.708051 -0.211357 0.495526
C 3.505732 0.466087 -0.193254
C -2.162553 -0.351982 2.360959
C -0.214844 2.332365 -1.121981
C -2.948047 -0.292073 -1.826262
C 3.435708 1.819992 -0.364846
C -3.444964 -0.232666 1.904280
C 2.112084 3.865047 -0.819730
C -5.050300 -0.090653 0.014639
C -0.258438 3.697334 -1.263541
C -4.242871 -0.176744 -2.265372
C 0.920930 4.479355 -1.112169
C -5.313125 -0.074253 -1.332062
C 3.373178 -2.531831 -0.450495
C 0.826699 -1.619694 2.341367
C 3.071923 -3.864767 0.134772
C 2.100576 -1.250677 3.016896
H -0.519226 -0.224594 -1.964154
H 0.349726 -2.601777 -0.198833
H 0.886836 -2.306093 -1.865036
H -0.825419 -2.607082 -1.514774
H 4.445881 -0.042487 0.018435
H -1.919587 -0.371266 3.422073
H -1.133263 1.754918 -1.232332
H -2.126837 -0.370964 -2.545170
H 4.326104 2.442291 -0.277008
H -4.282518 -0.155547 2.597026
H 3.024913 4.447126 -0.699005
H -5.858429 -0.013521 0.741401
H -1.196911 4.201806 -1.490835
H -4.471489 -0.162664 -3.330323
H 0.858119 5.559380 -1.230267
H -6.331800 0.015692 -1.705102
H 2.219763 -3.834561 0.845561
H 3.943841 -4.272207 0.668046
H 2.804000 -4.586592 -0.654046
H 2.931188 -1.280655 2.287795
H 2.334692 -1.947462 3.833535
H 2.078360 -0.226380 3.424586


%chk=000240963-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240963

0 1
O 2.392786 -1.666311 0.113881
O 0.236931 -0.413416 1.951319
O 4.118486 -2.245356 -1.372246
O 0.175594 -2.672924 2.584814
C -0.147374 -0.540100 -0.995347
C 1.125364 0.267406 -0.678975
C -1.294320 -0.408937 0.024739
C 1.093371 1.708670 -0.876304
C -2.671792 -0.345151 -0.440467
C 0.036847 -2.045661 -1.348679
C 2.349396 -0.287161 -0.283068
C -1.090006 -0.435236 1.409889
C 2.298881 2.497889 -0.703029
C -3.760884 -0.298211 0.519745
C 3.542716 0.476347 -0.112882
C -2.153027 -0.389747 2.359400
C -0.108949 2.408254 -1.241464
C -3.023971 -0.335624 -1.835470
C 3.518874 1.848071 -0.328782
C -3.468835 -0.322150 1.921765
C 2.261162 3.915869 -0.909087
C -5.117185 -0.232107 0.061074
C -0.117308 3.792314 -1.433930
C -4.355612 -0.273067 -2.254598
C 1.077121 4.558898 -1.270939
C -5.417791 -0.218478 -1.301064
C 3.314287 -2.569495 -0.478602
C 0.749622 -1.567637 2.598219
C 3.118984 -3.945020 0.116126
C 2.036357 -1.211593 3.304698
H -0.509643 -0.074590 -1.930833
H 0.244982 -2.654120 -0.456499
H 0.853387 -2.180443 -2.081234
H -0.897560 -2.420660 -1.804711
H 4.464472 -0.035229 0.177000
H -1.906596 -0.406654 3.425439
H -1.049164 1.862198 -1.353122
H -2.243241 -0.386490 -2.600372
H 4.430111 2.444721 -0.209430
H -4.293838 -0.288045 2.641915
H 3.186687 4.488688 -0.775820
H -5.919671 -0.194941 0.807357
H -1.051246 4.295645 -1.707259
H -4.587960 -0.268190 -3.325246
H 1.057308 5.642956 -1.426449
H -6.457418 -0.169385 -1.641916
H 2.793997 -3.885350 1.166260
H 4.048173 -4.527118 0.022921
H 2.322994 -4.469071 -0.445412
H 2.639974 -0.530899 2.685097
H 2.600470 -2.126885 3.536945
H 1.801758 -0.687773 4.249632


