%chk=000273494.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273494

0 1
O -3.824942 1.298675 0.073830
O 0.442067 -0.797323 -0.315907
O -3.461059 -3.451766 0.020391
O -4.141520 3.472074 0.131939
O 3.311775 1.875235 1.849788
O 3.198314 2.646511 -0.246784
C -1.618736 0.314134 -0.162470
C -1.046413 1.634545 -0.256183
C 0.428773 1.839202 -0.468001
C -3.033007 0.207938 -0.013302
C -0.910609 -0.929228 -0.214264
C 1.185241 1.749321 0.860265
C -1.854514 2.730700 -0.164794
C -3.717206 -1.016270 0.055243
C -1.553097 -2.160232 -0.155492
C -2.962003 -2.184776 -0.023214
C -3.274066 2.654564 0.016236
C 1.277686 -2.009911 -0.365509
C 2.675009 -1.462497 -0.318478
C 2.618751 2.147633 0.688159
C 3.184071 -0.749259 -1.413792
C 3.470651 -1.663526 0.818840
C 4.486348 -0.244040 -1.371216
C 4.775544 -1.163864 0.851383
C -4.899107 -3.618959 0.155124
C 5.283849 -0.454030 -0.241412
H 0.629935 2.820213 -0.955203
H 0.831941 1.082460 -1.184066
H 0.712525 2.388942 1.638998
H 1.132092 0.706282 1.261337
H -1.456953 3.745942 -0.230056
H -4.796912 -1.006296 0.165307
H -1.027263 -3.107135 -0.206699
H 1.025434 -2.649180 0.499037
H 1.051663 -2.535586 -1.311061
H 2.562392 -0.581528 -2.292870
H 3.077468 -2.204833 1.678068
H 4.876686 0.322794 -2.216757
H 5.395327 -1.325969 1.732330
H -4.995968 -4.712584 0.158065
H -5.411936 -3.177860 -0.705040
H -5.241366 -3.187928 1.100858
H 6.300415 -0.063918 -0.214058
H 4.274818 2.109031 1.784333


%chk=000273494-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273494

0 1
O -3.948706 1.284918 0.070992
O 0.484851 -0.746809 -0.244846
O -3.449302 -3.521616 -0.009335
O -4.313363 3.563868 0.112720
O 3.301848 2.124541 1.918330
O 3.115840 2.776322 -0.301715
C -1.667727 0.352013 -0.130347
C -1.142152 1.714588 -0.224634
C 0.331757 2.046898 -0.404205
C -3.086302 0.191437 -0.007825
C -0.907220 -0.877193 -0.177880
C 1.114228 1.981606 0.928993
C -2.026373 2.783229 -0.157015
C -3.736154 -1.059513 0.039746
C -1.533752 -2.133065 -0.139056
C -2.947050 -2.221065 -0.034868
C -3.459624 2.661445 0.016376
C 1.310786 -1.986874 -0.309372
C 2.760690 -1.564106 -0.318310
C 2.573901 2.340177 0.737535
C 3.307990 -0.902484 -1.447092
C 3.586728 -1.813612 0.804863
C 4.657927 -0.492390 -1.449790
C 4.943028 -1.415177 0.800036
C -4.905387 -3.687413 0.093895
C 5.480127 -0.752523 -0.327389
H 0.420664 3.066739 -0.817965
H 0.808426 1.358223 -1.118002
H 0.682911 2.673117 1.678772
H 1.066276 0.968823 1.363851
H -1.656069 3.809012 -0.238908
H -4.823686 -1.071870 0.128794
H -0.972885 -3.067826 -0.182481
H 1.084314 -2.618702 0.571164
H 1.031831 -2.536723 -1.230614
H 2.672295 -0.697695 -2.316667
H 3.169041 -2.316241 1.685725
H 5.067386 0.031307 -2.319819
H 5.574714 -1.618384 1.671733
H -5.069611 -4.774326 0.089740
H -5.419122 -3.225040 -0.769834
H -5.288921 -3.251880 1.035688
H 6.530596 -0.440707 -0.333433
H 4.257349 2.352670 1.755353


