%chk=000179429.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179429

0 1
O -4.022572 0.539359 -0.599402
O -3.341553 -2.256618 0.087473
O -5.840265 0.798018 0.729417
C -0.798230 0.186705 0.359598
C -1.985011 1.091595 0.559949
C -3.210679 0.156267 0.534950
C -1.187608 -1.143260 0.184615
C 0.567290 0.538992 0.333130
C 1.542342 -0.464866 0.055248
C -2.666800 -1.273900 0.228130
C 1.120197 -1.831789 0.005442
C -0.236794 -2.156093 0.035658
C 2.924768 -0.019153 -0.143769
C 0.972192 1.895631 0.636196
C 3.292240 1.300133 0.226970
C 2.279163 2.246725 0.642686
C 2.078215 -2.980259 -0.002020
C 3.925257 -0.822553 -0.751803
C 4.643226 1.724975 0.131349
C 5.233942 -0.390319 -0.865284
C 5.607250 0.885834 -0.392148
C -5.370927 0.795074 -0.380866
C -6.012040 1.054587 -1.695803
H -1.923878 1.658894 1.506196
H -2.059775 1.841782 -0.255855
H -3.811096 0.174948 1.470516
H -0.571972 -3.192452 -0.041139
H 0.193976 2.616804 0.884770
H 2.599051 3.249889 0.923206
H 2.607871 -3.066855 -0.965573
H 2.835959 -2.870165 0.789713
H 1.580896 -3.944623 0.172406
H 3.656599 -1.793814 -1.176192
H 4.907839 2.727371 0.465951
H 5.984977 -1.028464 -1.328733
H 6.646107 1.203991 -0.461524
H -6.714182 0.241349 -1.947918
H -5.280042 1.119527 -2.517977
H -6.591135 1.990934 -1.675363


%chk=000179429-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179429

0 1
O -4.232699 0.634830 -0.573972
O -3.371910 -2.167873 -0.141122
O -5.781253 0.677378 1.180145
C -0.748283 0.261167 0.098646
C -1.936373 1.210597 0.219070
C -3.155188 0.269010 0.369753
C -1.164886 -1.071569 -0.022867
C 0.637919 0.584120 0.070986
C 1.634270 -0.473846 -0.048456
C -2.640293 -1.160826 0.034975
C 1.159184 -1.842106 -0.241677
C -0.222164 -2.107611 -0.220297
C 3.053521 -0.067351 0.011020
C 1.027179 1.973284 0.136484
C 3.389334 1.345316 0.049058
C 2.351780 2.344660 0.095976
C 2.041787 -3.051723 -0.522982
C 4.162437 -0.976689 0.071416
C 4.753044 1.771537 0.075463
C 5.493372 -0.537670 0.113342
C 5.802589 0.849136 0.097911
C -5.532161 0.756610 -0.041343
C -6.527198 0.975989 -1.156042
H -1.844107 1.907854 1.070721
H -2.057962 1.820441 -0.696188
H -3.579195 0.276274 1.393097
H -0.585793 -3.130639 -0.365151
H 0.241585 2.732825 0.202457
H 2.642491 3.401049 0.122772
H 2.772931 -2.860255 -1.328168
H 2.597758 -3.390472 0.371763
H 1.411405 -3.897734 -0.843711
H 3.994221 -2.048291 0.115065
H 4.961055 2.847856 0.092129
H 6.300413 -1.276733 0.164482
H 6.844191 1.186296 0.120567
H -6.729830 0.009475 -1.652033
H -6.120303 1.661011 -1.917000
H -7.468069 1.368877 -0.744090


