%chk=000281044.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281044

0 1
O -0.562367 0.085935 -0.065800
O -0.913405 -1.994197 -0.859375
C 1.468730 -0.829245 0.922807
C 0.885234 -0.057686 -0.288757
C 2.882981 -1.264582 0.601891
C 1.382306 1.356491 -0.455863
C 1.365389 -0.037720 2.225525
C 3.091914 -2.535469 0.041310
C 3.983556 -0.428250 0.836385
C -2.794544 -0.608918 -0.181114
C 0.708035 2.434941 0.133844
C 2.537441 1.587790 -1.218081
C -1.383646 -0.963937 -0.428702
C -3.564163 -1.429429 0.674300
C -3.381214 0.513481 -0.804517
C 4.384463 -2.964063 -0.269395
C 5.275913 -0.861005 0.525773
C -5.493257 0.000762 0.290441
C 1.184459 3.736960 -0.040896
C 3.012347 2.891189 -1.384779
C -4.907033 -1.114343 0.907897
C -4.729261 0.807830 -0.564088
C 5.479998 -2.129014 -0.026138
C 2.336841 3.967006 -0.798895
C -2.949703 -2.618251 1.333975
C -2.589832 1.369203 -1.735133
C -6.924475 0.335636 0.554998
H 0.831491 -1.750712 1.039335
H 1.022025 -0.655215 -1.223321
H 1.741612 -0.620704 3.073359
H 1.935474 0.898918 2.188241
H 0.320455 0.229709 2.430575
H 2.243336 -3.190839 -0.155770
H 3.831676 0.564960 1.258611
H -0.191097 2.247565 0.724414
H 3.070568 0.752806 -1.673076
H 4.538257 -3.951214 -0.702034
H 6.125142 -0.206842 0.714831
H -5.500373 -1.739217 1.570610
H -5.185840 1.669418 -1.044770
H 0.657253 4.572601 0.415865
H 3.910278 3.068448 -1.974359
H 6.486173 -2.465207 -0.265924
H 2.707709 4.981087 -0.933226
H -2.390584 -3.237528 0.608695
H -2.234201 -2.317799 2.113634
H -3.689225 -3.275164 1.808981
H -2.385282 0.843252 -2.680023
H -3.095519 2.308358 -1.991266
H -1.608172 1.640046 -1.303585
H -7.008700 1.016138 1.416439
H -7.402820 0.835445 -0.298417
H -7.527944 -0.552826 0.785869


%chk=000281044-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281044

0 1
O -0.583441 0.212581 0.003876
O -0.897398 -1.992987 -0.676121
C 1.501334 -0.666797 1.056151
C 0.894396 0.045199 -0.210481
C 2.903495 -1.186800 0.720437
C 1.459418 1.419322 -0.523636
C 1.417479 0.202063 2.326061
C 3.022327 -2.382544 -0.038826
C 4.088599 -0.514047 1.109156
C -2.841700 -0.608078 -0.102188
C 0.917970 2.598067 0.050352
C 2.572697 1.528336 -1.394122
C -1.386927 -0.895185 -0.302877
C -3.631342 -1.572381 0.601471
C -3.445126 0.570192 -0.643710
C 4.288761 -2.893061 -0.397391
C 5.358930 -1.023315 0.753724
C -5.632501 -0.155947 0.265482
C 1.481759 3.859745 -0.240498
C 3.141251 2.789831 -1.680207
C -5.010472 -1.318830 0.779934
C -4.833868 0.764567 -0.453170
C 5.465128 -2.213491 -0.001080
C 2.597170 3.960897 -1.104533
C -3.035134 -2.848736 1.171699
C -2.671070 1.598944 -1.452553
C -7.111511 0.101507 0.489766
H 0.858168 -1.556700 1.203821
H 1.027346 -0.639130 -1.068706
H 1.800578 -0.356715 3.198589
H 1.998132 1.136326 2.234510
H 0.368345 0.481615 2.528255
H 2.111297 -2.915230 -0.341347
H 4.025643 0.411687 1.690571
H 0.048485 2.521475 0.711140
H 2.997366 0.624207 -1.846063
H 4.359519 -3.819562 -0.978625
H 6.264403 -0.490208 1.065734
H -5.613701 -2.051439 1.330414
H -5.303203 1.658145 -0.883197
H 1.050651 4.763309 0.205434
H 4.002138 2.857214 -2.354671
H 6.450127 -2.608912 -0.273940
H 3.033494 4.940409 -1.330507
H -2.676656 -3.513787 0.367155
H -2.161231 -2.644143 1.817794
H -3.784225 -3.390697 1.773240
H -2.021376 1.126999 -2.210870
H -3.365247 2.280319 -1.973582
H -2.007624 2.202529 -0.809733
H -7.278035 0.642793 1.441657
H -7.542776 0.718422 -0.317887
H -7.683446 -0.841376 0.545396


