%chk=000184979.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184979

0 1
O -0.268063 -1.170620 -0.697156
O 2.037157 1.931630 0.461757
O -2.748952 2.849513 -0.153874
O -4.950524 -1.168339 0.631254
O 5.868559 -0.874856 0.829726
C -0.055710 1.273452 -0.725678
C 0.646621 -0.061759 -1.130762
C -1.444136 0.812586 -0.404836
C 0.581326 1.912059 0.515798
C 1.984005 -0.296187 -0.527101
C -1.467607 -0.607053 -0.356080
C 2.631470 0.720405 0.201128
C -2.633918 1.487111 -0.122945
C 2.664303 -1.511770 -0.726525
C -2.587778 -1.356175 -0.016641
C 3.947476 0.589730 0.668542
C -3.799614 0.788999 0.221171
C -3.751390 -0.616412 0.275225
C 3.959598 -1.693641 -0.259093
C 4.587138 -0.628851 0.420293
C -5.040271 -2.613703 0.725253
H -0.024527 1.980841 -1.584009
H 0.668522 -0.187000 -2.236866
H 0.355378 2.987822 0.613094
H 0.299487 1.378059 1.443722
H 2.156799 -2.320657 -1.259168
H -2.546346 -2.435807 0.012472
H 4.417995 1.405904 1.204194
H -4.721240 1.321234 0.441359
H 4.497571 -2.627081 -0.404000
H -1.914286 3.289469 -0.452676
H 6.268786 -0.102255 1.304768
H -6.087458 -2.751646 1.025177
H -4.357170 -2.985928 1.494406
H -4.846001 -3.068574 -0.250430


%chk=000184979-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184979

0 1
O -0.272016 -1.242627 -0.246084
O 2.007623 1.834654 0.753821
O -2.723644 2.900050 -0.524573
O -5.175202 -1.072822 0.475796
O 6.167007 -0.668044 0.551830
C -0.026598 1.171561 -0.549242
C 0.635321 -0.192498 -0.901604
C -1.483595 0.761543 -0.401472
C 0.535907 1.681190 0.798523
C 2.059316 -0.335916 -0.446166
C -1.540421 -0.631553 -0.169891
C 2.688419 0.682561 0.320598
C -2.679703 1.505868 -0.329101
C 2.845532 -1.447939 -0.843504
C -2.723865 -1.323900 0.128278
C 4.057435 0.607298 0.659998
C -3.897981 0.858550 -0.038643
C -3.909712 -0.539604 0.192715
C 4.202687 -1.557620 -0.501319
C 4.805682 -0.515574 0.247677
C -5.264611 -2.512385 0.730947
H 0.181150 1.908143 -1.348280
H 0.538911 -0.386666 -1.988058
H 0.156147 2.680865 1.061399
H 0.276662 0.964083 1.601878
H 2.372873 -2.241697 -1.433136
H -2.711044 -2.402400 0.294108
H 4.500483 1.419423 1.247601
H -4.829887 1.425575 0.006317
H 4.807356 -2.416842 -0.801865
H -1.846446 3.238039 -0.832919
H 6.504088 0.102388 1.073074
H -6.329375 -2.701924 0.930688
H -4.661318 -2.802860 1.612817
H -4.939980 -3.098416 -0.150709


