%chk=000181270.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181270

0 1
O 2.208264 -0.580397 -0.635651
O -2.381843 -0.350888 0.552940
O 4.373414 -1.703624 1.832249
O -5.245397 -1.493004 -1.189359
O 3.081708 1.443687 -1.120046
O -2.291612 1.464061 -0.790863
C 0.616098 1.159537 -1.041413
C -0.217040 0.330210 -0.025695
C 0.491764 2.668655 -0.736399
C 0.220355 0.624777 1.424057
C 0.203794 0.856764 -2.484921
C 2.101701 0.769370 -0.933190
C -1.699732 0.611378 -0.177688
C 0.587231 2.990726 0.722546
C 0.447951 2.080776 1.690926
C 3.449917 -2.024760 0.745072
C -4.270427 -1.622945 -0.107860
C 3.545853 -1.136510 -0.472830
C 4.580047 -2.950800 1.096381
C -3.836538 -0.324029 0.531913
C -5.678966 -2.118761 0.059809
H -0.052393 -0.763722 -0.230989
H 1.263331 3.231636 -1.304767
H -0.495188 3.030436 -1.115180
H -0.530942 0.212185 2.131081
H 1.164166 0.069419 1.632698
H 0.287122 -0.209739 -2.725394
H 0.817208 1.408737 -3.209241
H -0.841029 1.155464 -2.669643
H 0.764639 4.043157 0.945470
H 0.515764 2.347863 2.744818
H 2.427421 -2.236338 1.082043
H -3.454392 -2.322727 -0.327234
H 4.290926 -0.321266 -0.349561
H 3.744158 -1.698770 -1.402124
H 4.399390 -3.851817 1.678904
H 5.492456 -2.973958 0.504668
H -4.205889 0.562678 -0.027571
H -4.114690 -0.252505 1.598535
H -5.908685 -3.178840 -0.024650
H -6.415514 -1.542917 0.615258


%chk=000181270-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181270

0 1
O 2.337090 -0.522710 -0.521181
O -2.473096 -0.444947 0.207102
O 3.498331 -2.609428 1.623342
O -4.713675 -2.786744 -0.030248
O 3.154231 1.617874 -0.883524
O -2.259849 1.470253 -1.083376
C 0.696046 1.221602 -1.016845
C -0.233303 0.329248 -0.130516
C 0.508062 2.726736 -0.674537
C 0.060456 0.546547 1.389368
C 0.457465 0.974454 -2.539596
C 2.175087 0.846727 -0.780312
C -1.717267 0.560701 -0.413431
C 0.411210 2.988037 0.815798
C 0.214667 2.013683 1.741832
C 3.674596 -2.409127 0.135112
C -4.558743 -1.507925 0.760625
C 3.741938 -0.982237 -0.337183
C 4.794515 -2.983524 0.949151
C -3.948350 -0.339801 0.034505
C -5.926409 -1.993037 0.385697
H -0.038411 -0.735634 -0.352896
H 1.359446 3.293157 -1.095968
H -0.409591 3.088092 -1.176135
H -0.747711 0.084614 1.985657
H 0.982737 -0.010371 1.648842
H 0.592465 -0.091926 -2.797156
H 1.166870 1.572141 -3.139731
H -0.566677 1.279657 -2.808231
H 0.505220 4.033226 1.139593
H 0.174880 2.273668 2.808261
H 3.058708 -3.086778 -0.469322
H -4.201511 -1.671341 1.785059
H 4.244180 -0.332414 0.400713
H 4.271032 -0.894902 -1.305478
H 4.998959 -4.059090 0.893948
H 5.649016 -2.347583 1.214923
H -4.194470 -0.360102 -1.041894
H -4.285461 0.626498 0.456319
H -6.555136 -2.464779 1.149922
H -6.463149 -1.509316 -0.441109


