%chk=000298219.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298219

0 1
O -0.864697 -0.327110 -0.833686
O 1.417854 -0.277930 -0.412236
O -0.738061 -3.744078 0.365058
O 1.243455 -3.389734 1.534981
O -3.642592 -1.529619 0.021431
O 3.656362 -0.781626 0.842783
O -3.038808 -0.137215 1.696531
O 2.982804 0.243319 2.746272
C -0.599533 -1.308241 0.192647
C 0.920491 -1.559689 0.023614
C 0.325862 0.498663 -0.994493
C -1.434452 -2.563258 -0.085477
C 1.579351 -1.990743 1.341704
C -2.814546 -2.569855 0.595942
C 3.114976 -2.044837 1.295479
C 0.200011 1.778542 -0.196656
C 0.551398 0.656444 -2.483402
C -0.130618 -3.732892 1.660369
C -3.641602 -0.296506 0.657435
C 3.471880 0.330637 1.642862
C -4.476220 0.668795 -0.090098
C 3.968832 1.531202 0.929331
C -4.822482 1.875185 0.541397
C 4.514710 2.591123 1.668522
C -4.904465 0.403931 -1.399429
C 3.868232 1.608833 -0.467532
C -5.603919 2.810366 -0.139272
C 4.970316 3.729693 1.000110
C -5.685300 1.346055 -2.073869
C 4.324163 2.752790 -1.127165
C -6.034971 2.545559 -1.444638
C 4.876548 3.808932 -0.394511
H -0.860477 -0.833450 1.168826
H 1.145957 -2.290979 -0.785688
H -1.526771 -2.745196 -1.184560
H 1.228044 -1.390926 2.212103
H -2.754385 -2.446222 1.692683
H -3.377191 -3.490559 0.348671
H 3.489822 -2.745426 0.524921
H 3.534975 -2.292528 2.286759
H -0.515925 2.471010 -0.654177
H 1.169303 2.288278 -0.107415
H -0.150680 1.580016 0.826553
H 1.289685 1.435673 -2.702448
H -0.386044 0.914485 -2.994629
H 0.915812 -0.280773 -2.926498
H -0.658016 -3.088673 2.374929
H -0.080586 -4.808572 1.924591
H -4.475235 2.071787 1.559152
H 4.575657 2.521509 2.756541
H -4.622291 -0.536261 -1.880987
H 3.424848 0.769245 -1.018490
H -5.877070 3.746399 0.346043
H 5.398118 4.556194 1.565454
H -6.020910 1.144905 -3.090260
H 4.253686 2.819104 -2.211376
H -6.645328 3.278248 -1.973182
H 5.235424 4.698875 -0.911423


%chk=000298219-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298219

0 1
O -1.100258 -0.494512 -0.850390
O 1.211618 -0.187050 -0.432042
O -0.841481 -3.920515 0.615584
O 1.343760 -3.400421 1.539862
O -3.755067 -1.627118 0.007668
O 3.777478 -0.778958 0.555832
O -3.165641 -0.104054 1.678066
O 3.349632 0.175962 2.638393
C -0.682113 -1.441161 0.204034
C 0.841252 -1.569542 -0.054138
C -0.012392 0.514197 -0.949987
C -1.508654 -2.728615 0.033517
C 1.640575 -1.986786 1.196443
C -2.918597 -2.660893 0.661456
C 3.172422 -2.042557 1.022675
C -0.285276 1.720026 -0.045471
C 0.166826 0.853046 -2.427811
C -0.042963 -3.715219 1.822924
C -3.764136 -0.356645 0.601313
C 3.772985 0.285866 1.459111
C -4.579344 0.616491 -0.176249
C 4.336945 1.527453 0.858249
C -4.724436 1.928670 0.345253
C 4.520868 2.653963 1.701742
C -5.195198 0.270042 -1.406696
C 4.671988 1.609314 -0.518261
C -5.483723 2.886442 -0.357043
C 5.042817 3.852486 1.173638
C -5.954946 1.231886 -2.105170
C 5.193169 2.811409 -1.041941
C -6.101399 2.539394 -1.582844
C 5.380808 3.933018 -0.198849
H -0.856756 -0.984934 1.200777
H 1.041142 -2.271873 -0.889370
H -1.586966 -2.947349 -1.045610
H 1.375213 -1.321189 2.042208
H -2.858353 -2.453948 1.745803
H -3.442795 -3.611166 0.478919
H 3.435725 -2.775853 0.244971
H 3.619767 -2.333624 1.989145
H -1.120367 2.318294 -0.449791
H 0.616297 2.354112 0.012225
H -0.550021 1.391653 0.973494
H 0.971421 1.598346 -2.547878
H -0.769744 1.270047 -2.837005
H 0.431094 -0.054664 -2.994249
H -0.495500 -2.943792 2.482730
H -0.010713 -4.700188 2.309556
H -4.237859 2.172660 1.295491
H 4.248430 2.567556 2.758871
H -5.068610 -0.742043 -1.799860
H 4.512357 0.736191 -1.156327
H -5.596930 3.898089 0.047251
H 5.186726 4.720596 1.825945
H -6.431422 0.965522 -3.054815
H 5.451990 2.876498 -2.104435
H -6.693070 3.283592 -2.127843
H 5.786825 4.864745 -0.608972


