%chk=000183746.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183746

0 1
O -1.048860 -0.329268 0.016930
O -7.224638 0.323393 -0.345090
C 5.296072 0.336619 -0.515912
C 4.580915 -0.938121 -0.009044
C 6.737750 0.012040 -0.963816
C 5.251056 1.446952 0.553436
C 3.088196 -0.771153 0.045993
C 7.630511 -0.558685 0.134935
C 5.664157 2.810193 0.003860
C 2.433732 -0.588129 1.268825
C 2.331790 -0.802084 -1.143651
C 1.042648 -0.435376 1.328938
C 0.951870 -0.652851 -1.113099
C 0.317156 -0.468565 0.134361
C -1.824591 -0.157954 1.245734
C -3.244442 -0.021786 0.779728
C -4.283913 -0.626308 1.511165
C -3.538866 0.712913 -0.375552
C -5.604528 -0.483689 1.105264
C -4.859285 0.863776 -0.809504
C -5.878552 0.264615 -0.060148
C -7.635088 1.049746 -1.528506
H 4.744763 0.705048 -1.418296
H 4.981591 -1.220008 0.984689
H 4.834063 -1.791723 -0.671138
H 6.702005 -0.696404 -1.814532
H 7.199444 0.937008 -1.365246
H 4.222552 1.514830 0.962860
H 5.899873 1.173933 1.407697
H 7.667858 0.107220 1.005767
H 7.274985 -1.534497 0.482815
H 8.657837 -0.691846 -0.221772
H 5.601056 3.582509 0.778413
H 5.018490 3.123675 -0.824333
H 6.695532 2.800690 -0.367211
H 3.007553 -0.563143 2.194855
H 2.836752 -0.945528 -2.098769
H 0.559469 -0.295760 2.288679
H 0.351390 -0.677294 -2.019010
H -1.662242 -1.043969 1.884648
H -1.470743 0.757784 1.755343
H -4.056525 -1.210211 2.403112
H -2.722343 1.161219 -0.947166
H -6.425786 -0.936024 1.655983
H -5.070917 1.431806 -1.708437
H -7.360876 2.104811 -1.440992
H -7.208918 0.589033 -2.424309
H -8.725354 0.922961 -1.501998


%chk=000183746-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183746

0 1
O -1.075674 -0.487392 -0.173862
O -7.430433 0.471032 -0.153036
C 5.427372 0.302477 -0.536902
C 4.684302 -0.964257 -0.000464
C 6.929152 -0.004390 -0.809183
C 5.202448 1.520485 0.398537
C 3.166747 -0.843464 -0.004194
C 7.770459 -0.357497 0.439645
C 5.779117 2.848431 -0.139722
C 2.424402 -0.740940 1.195449
C 2.442592 -0.826301 -1.229205
C 1.014254 -0.619062 1.195460
C 1.041990 -0.705388 -1.254135
C 0.320232 -0.597992 -0.038453
C -1.864081 -0.334954 1.064056
C -3.316255 -0.134889 0.687423
C -4.344226 -0.702860 1.483245
C -3.681254 0.651184 -0.429318
C -5.700721 -0.479525 1.183869
C -5.037875 0.877479 -0.751371
C -6.051870 0.313527 0.063248
C -7.846088 1.269711 -1.307956
H 4.970584 0.556852 -1.519105
H 5.033616 -1.178203 1.028313
H 4.989004 -1.828956 -0.625620
H 6.986839 -0.845872 -1.530276
H 7.389282 0.865421 -1.317749
H 4.112715 1.638529 0.556231
H 5.635136 1.304424 1.396924
H 7.783522 0.473084 1.168848
H 7.379261 -1.253654 0.954686
H 8.818222 -0.568004 0.156440
H 5.509602 3.693528 0.520453
H 5.381918 3.070356 -1.148718
H 6.881988 2.821140 -0.211411
H 2.954511 -0.758793 2.155864
H 2.986658 -0.917282 -2.177745
H 0.482415 -0.550087 2.148933
H 0.484533 -0.699448 -2.196154
H -1.745418 -1.234444 1.702425
H -1.470988 0.541482 1.624357
H -4.084517 -1.329338 2.345575
H -2.893868 1.071597 -1.063071
H -6.500281 -0.913926 1.791374
H -5.287841 1.484052 -1.626893
H -7.485689 2.313984 -1.227486
H -7.485521 0.825511 -2.256305
H -8.945672 1.255031 -1.286520


