%chk=000179583.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179583

0 1
O -1.549723 -1.180557 -1.284373
O 0.993220 0.205121 1.714670
O 3.419332 -0.334396 2.284022
O -3.896699 -1.959920 -1.409158
O 4.938968 0.536693 -2.817003
O -5.512141 2.283035 1.504122
O 5.765792 -0.924665 2.905909
O -6.290074 -2.884798 -1.485702
C -0.962315 0.886361 -0.136347
C 0.453245 0.746801 -0.515245
C -3.280052 0.020227 -0.259354
C 2.794236 0.232779 0.097481
C -3.695137 1.130135 0.507634
C -1.408708 1.965264 0.638096
C -1.906276 -0.089901 -0.559845
C 3.165535 0.466461 -1.244872
C 1.439498 0.383274 0.460868
C -2.784883 2.077381 0.949123
C 5.184921 -0.323042 0.706609
C 5.596062 -0.099737 -0.628019
C 3.785259 -0.157810 1.122009
C 0.865939 0.976602 -1.819489
C -4.239443 -0.997234 -0.723535
C -5.654777 -0.839140 -0.343850
C -6.111187 0.257356 0.424081
C 4.596565 0.322553 -1.673504
C -5.145969 1.313940 0.872326
C 2.220186 0.835620 -2.189625
C -0.454741 2.989203 1.145728
C 6.916780 -0.259990 -1.012217
C 6.177449 -0.715293 1.629173
C 7.900119 -0.656505 -0.068448
C -6.600920 -1.802979 -0.748931
C -7.446744 0.378798 0.771599
C 7.528737 -0.883684 1.252366
C -7.974998 -1.685026 -0.393766
C -8.380044 -0.603190 0.357981
C 9.311014 -0.821181 -0.514442
H -3.139692 2.921779 1.549087
H 0.134985 1.274440 -2.577548
H 2.524860 1.020489 -3.224398
H -0.949653 3.842656 1.628198
H 0.221075 2.538510 1.896871
H 0.184054 3.392009 0.345625
H 7.202320 -0.078494 -2.053056
H -7.781677 1.233306 1.364851
H 8.264681 -1.187851 1.991725
H -0.562230 -1.252983 -1.415679
H -8.666987 -2.457108 -0.728983
H -9.428232 -0.490770 0.643010
H 1.760598 -0.089089 2.377018
H 9.394837 -1.584319 -1.305393
H 9.710409 0.114977 -0.937352
H 9.991262 -1.122680 0.293734
H 6.509761 -1.202894 3.507508
H -5.268194 -2.925533 -1.722289


%chk=000179583-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179583

0 1
O -1.501255 -1.224935 -1.324104
O 1.067248 0.178003 1.818553
O 3.444192 -0.284671 2.380534
O -4.030267 -2.003496 -1.521202
O 4.938511 0.329142 -2.899784
O -5.531041 2.276476 1.636281
O 5.979981 -0.766090 3.022039
O -6.399804 -2.801801 -1.656594
C -0.990554 0.808165 -0.073112
C 0.445026 0.639901 -0.461153
C -3.333440 -0.033342 -0.271192
C 2.825116 0.179069 0.118793
C -3.746188 1.071284 0.543653
C -1.428902 1.891741 0.735934
C -1.938047 -0.147891 -0.562372
C 3.180290 0.337298 -1.252508
C 1.449112 0.332007 0.514386
C -2.807564 2.002109 1.027889
C 5.244898 -0.295281 0.749583
C 5.619426 -0.134385 -0.628108
C 3.834438 -0.143373 1.150132
C 0.844785 0.779469 -1.814274
C -4.342235 -0.993856 -0.767130
C -5.756326 -0.796261 -0.395187
C -6.182111 0.297962 0.418230
C 4.599970 0.187967 -1.681880
C -5.184558 1.284599 0.916791
C 2.192358 0.635067 -2.213043
C -0.457072 2.919668 1.273899
C 6.955965 -0.272818 -1.046140
C 6.289481 -0.602060 1.678160
C 7.985728 -0.577404 -0.119855
C -6.741134 -1.733136 -0.868809
C -7.541644 0.457642 0.754787
C 7.631923 -0.737389 1.235459
C -8.108944 -1.560551 -0.519811
C -8.498610 -0.475339 0.283480
C 9.421240 -0.725594 -0.580146
H -3.181802 2.827619 1.641289
H 0.082502 1.029623 -2.560859
H 2.494852 0.753499 -3.257197
H -0.990110 3.803298 1.660641
H 0.136372 2.482722 2.098057
H 0.257481 3.253783 0.499861
H 7.175087 -0.138154 -2.110390
H -7.827759 1.308644 1.379373
H 8.413250 -0.972783 1.971084
H -0.507831 -1.204378 -1.394834
H -8.831786 -2.291072 -0.894307
H -9.554609 -0.352054 0.546087
H 1.942137 -0.057344 2.354339
H 9.514305 -1.538837 -1.323448
H 9.775004 0.199604 -1.071206
H 10.102969 -0.949609 0.257006
H 6.796333 -0.975241 3.546238
H -5.366183 -2.742213 -1.794915


