%chk=000183329.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183329

0 1
O -0.133644 0.518435 -0.130791
O -5.684906 0.427795 0.309163
O -4.148799 2.839924 -0.218210
O -4.257553 -1.958210 0.435288
O 4.477934 2.367223 0.742540
O 6.083495 0.779002 -0.337618
O -1.932721 -3.127884 0.462957
O 5.181813 -1.754678 -1.431070
C -2.159311 -0.809921 0.166768
C -1.520476 0.427313 -0.040608
C 0.618930 -0.650067 -0.004221
C 2.050641 -0.310961 -0.122007
C -3.578869 -0.818138 0.255347
C -1.382418 -2.037440 0.292595
C 0.065679 -1.863227 0.199163
C -2.199744 1.627394 -0.170976
C -4.311343 0.387756 0.121229
C -3.613903 1.600276 -0.090374
C 2.518041 0.912250 0.389062
C 2.921130 -1.213386 -0.735482
C 3.874024 1.223148 0.290013
C 4.286371 -0.892191 -0.833232
C 4.793936 0.318185 -0.327001
C -6.436550 -0.378206 -0.642570
C -5.593633 3.002389 -0.131952
C 3.631752 3.359592 1.378990
C 7.089796 -0.076492 -0.943479
H 0.669760 -2.763879 0.318503
H -1.682126 2.569832 -0.332851
H 1.812713 1.603196 0.849098
H 2.555049 -2.153520 -1.142096
H -3.606443 -2.791726 0.522708
H -6.222080 -0.064507 -1.665071
H -7.469866 -0.160145 -0.354612
H -6.201829 -1.439186 -0.490667
H -5.692699 4.093153 -0.170967
H -6.069861 2.513324 -0.985891
H -5.965456 2.586958 0.813110
H 4.726338 -2.573477 -1.756569
H 3.177957 2.950082 2.285772
H 2.883225 3.732968 0.674438
H 4.365398 4.140217 1.624094
H 6.860816 -0.237392 -2.001678
H 7.151959 -1.026914 -0.404192
H 7.995074 0.527335 -0.810052


%chk=000183329-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183329

0 1
O -0.140652 0.553944 -0.108611
O -5.780630 0.360028 0.202818
O -4.265860 2.840366 0.454330
O -4.258282 -2.060582 -0.137369
O 4.466144 2.559375 0.028418
O 6.209465 0.639411 -0.501614
O -2.003333 -3.172721 -0.424486
O 5.332570 -2.059008 -0.958606
C -2.194883 -0.789807 -0.143582
C -1.547034 0.467114 -0.025081
C 0.627515 -0.605719 -0.288613
C 2.070344 -0.316412 -0.341451
C -3.624471 -0.839998 -0.049966
C -1.415208 -2.007741 -0.328243
C 0.021498 -1.848039 -0.391502
C -2.257018 1.649361 0.188416
C -4.377514 0.354352 0.117540
C -3.674384 1.594310 0.267911
C 2.539971 1.008314 -0.137061
C 3.007052 -1.347480 -0.600012
C 3.920537 1.291439 -0.173068
C 4.385321 -1.062080 -0.650233
C 4.878185 0.253712 -0.418914
C -6.518797 -0.359108 -0.863541
C -5.605196 2.986845 1.064281
C 3.532032 3.666663 0.255524
C 7.252355 -0.209377 0.118002
H 0.621127 -2.750525 -0.517126
H -1.754176 2.611484 0.298457
H 1.811233 1.795350 0.061217
H 2.671237 -2.373715 -0.788081
H -3.494617 -2.777737 -0.268104
H -6.257848 0.054871 -1.856533
H -7.581021 -0.173194 -0.642724
H -6.291186 -1.435794 -0.828811
H -5.641807 4.043687 1.372611
H -6.398251 2.763609 0.334806
H -5.717518 2.322213 1.936985
H 4.881284 -2.919396 -1.143853
H 2.940726 3.512911 1.179028
H 2.850091 3.800230 -0.606226
H 4.170705 4.554678 0.366454
H 7.340584 -1.174555 -0.403392
H 7.022201 -0.376371 1.186925
H 8.175111 0.381292 0.019681


