XYZ coordinates of the optimized structure at the HSE06/6-31+G* level
Al	1.570088 4.119135 0.863880
Al	1.230350 1.623220 -1.442687
Al	-0.211392 -4.868383 -0.716364
Al	0.591367 -1.621242 -1.161743
O	1.279649 3.227816 -2.511246
O	-0.431035 -6.300710 0.704328
O	-4.978577 3.758221 -0.665802
O	7.119442 -6.092953 0.803295
O	-6.527720 2.267351 -2.182713
O	2.023614 0.616998 -2.858859
O	-1.148676 -3.832292 0.520275
O	0.717344 2.617942 0.057597
O	0.440688 -6.188783 -1.931661
H	1.324663 -6.579235 -1.927400
O	-4.071377 0.385629 5.179662
O	3.043042 1.796364 -0.806857
O	-1.872883 -5.131547 -1.558839
O	1.036357 0.029584 -0.464481
O	0.194151 -3.366526 -1.789503
O	1.088062 3.678854 2.617955
O	8.935313 -0.366418 1.093036
O	-7.363399 -3.538894 -5.191670
O	1.595364 -4.749156 0.012024
O	-0.634756 1.400520 -2.017621
O	7.384656 2.560292 -2.993175
O	-5.196444 -4.189651 4.372243
O	-4.258425 2.307537 6.433784
O	3.270983 3.214125 0.954527
O	-1.562046 -6.470490 -3.360506
O	1.732547 -2.485390 0.148795
O	-0.637979 -0.846612 -2.411066
O	8.462540 0.657632 -2.268019
O	-5.436028 -2.037174 5.123621
O	8.286417 -4.114727 0.764520
O	-7.179440 0.276116 -3.070569
O	2.132866 -1.580244 -2.334995
O	-0.920277 -1.641690 0.027279
N	4.420118 -2.538776 0.497382
N	-3.328267 -0.904951 -2.711173
N	6.207050 -0.858906 -2.503049
N	-3.678687 -1.180906 3.023394
H	4.093221 -1.565772 0.435128
H	-2.943752 -1.854565 -2.741109
H	7.017488 -1.407861 -2.250964
H	-3.867888 -0.412157 3.678309
N	5.736634 -2.760542 0.629799
N	-4.659895 -0.760998 -2.810706
N	4.980815 -1.419506 -2.519171
N	-2.762442 -1.043861 2.058755
N	-1.673507 1.228191 4.160555
N	5.017464 0.251480 0.536774
N	-3.787516 -3.712475 -2.980825
N	-0.757429 1.963655 3.490836
N	6.318163 -0.068725 0.708977
N	-4.943792 -3.471315 -3.631889
H	0.028101 1.477998 2.931631
H	6.558856 -1.069742 0.781049
H	-5.352690 -2.533396 -3.534448
C	-0.126934 5.768154 -3.786812
C	0.091159 -4.192841 2.933944
C	-2.771251 4.752015 0.875537
H	0.149518 5.351960 -4.740872
H	0.866129 -3.865118 2.269072
H	-2.338540 4.249452 0.028508
C	1.251686 4.405406 -1.998431
C	-0.640922 -6.448609 1.924132
C	-5.312174 4.452330 0.450398
C	2.262686 -3.651356 0.175569
C	-1.226045 0.301673 -2.298009
C	7.356390 1.356365 -2.724472
C	-4.956500 -2.839596 4.300137
C	-3.683072 1.649310 5.569224
C	3.687202 2.265663 0.187707
C	-2.237335 -5.590391 -2.719993
C	7.207070 -4.716843 0.740722
C	-6.232203 1.125466 -2.592034
C	2.687233 -0.480033 -2.711608
C	-1.505088 -2.595522 0.631376
C	4.619299 -4.749702 0.496948
C	-3.666086 1.264903 -2.382995
C	4.858314 0.816860 -3.039214
C	-3.399202 -3.241103 2.249326
H	4.421617 -5.807705 0.462921
H	-3.531795 2.314632 -2.173568
H	4.438197 1.783562 -3.259612
H	-3.468645 -4.299278 2.065349
C	-2.527668 2.095548 4.775634
C	4.990285 1.610684 0.459370
C	-3.464535 -5.001277 -3.286412
C	-0.999401 3.284362 3.665882
C	7.123822 1.035527 0.702291
C	-5.370699 -4.562374 -4.346071
C	5.875143 -4.115098 0.632971
C	-4.881989 0.569419 -2.604939
C	4.145222 -0.391883 -2.845730
C	-2.576100 -2.308567 1.579811
C	3.702725 -3.703051 0.405827
C	-2.681720 0.283738 -2.473079
C	6.185612 0.491455 -2.797524
C	-4.082569 -2.484309 3.197091
O	-0.978896 -7.701290 2.346769
O	-0.073004 5.035140 0.826400
O	1.911204 4.724005 -0.929144
O	2.333160 5.847537 1.455866
O	0.855345 -1.542899 3.524407
O	-6.473410 4.651125 0.850802
O	-1.560825 7.114745 -5.810088
C	-0.020185 4.313250 3.152610
C	8.577115 0.915189 0.747871
C	-6.608799 -4.518919 -5.117464
C	-1.051384 6.815987 -3.542043
C	0.345100 5.423269 -2.526826
C	-0.612507 -5.389478 2.925070
C	-0.479479 -3.414696 3.965238
C	-4.119154 4.925255 1.155290
C	-2.087164 5.398308 1.931661
C	-2.130833 3.405936 4.489763
C	6.291012 2.149785 0.561392
C	-4.423267 -5.569520 -4.154079
C	-0.594510 5.376830 2.060299
H	2.962028 6.341957 0.909141
C	-0.222829 -1.945884 4.091215
C	-1.831510 7.568740 -4.525089
O	0.347107 5.104184 4.333465
O	9.394908 1.806261 0.481906
O	-6.847591 -5.707252 -5.764388
N	-1.174567 7.073734 -2.205869
N	-0.307155 6.234860 -1.617459
N	-1.514430 -5.301548 3.986124
N	-1.466422 -4.094950 4.604599
N	-4.183259 5.647408 2.322896
N	-2.949998 5.947613 2.820453
H	-2.591539 4.320421 4.822779
H	6.588276 3.184108 0.508020
H	-4.433818 -6.562364 -4.571802
O	-0.002374 6.673992 2.414675
O	-1.137886 -1.215828 4.617411
O	-2.632084 8.485750 -4.315868
H	-0.284010 6.076374 -0.588333
H	-2.274272 -5.922389 4.227737
H	-5.019664 5.964490 2.791611
H	-1.471359 0.152845 4.338626
H	-5.789719 -4.393392 5.125927
H	-4.779913 -0.058824 5.696893
H	8.009964 -6.497089 0.867889
H	9.904320 -0.505173 1.086506
H	9.227433 1.255979 -2.126109
H	-2.086776 7.622410 -6.462500
H	-7.677409 -5.664920 -6.284313
H	-8.073764 0.677359 -3.033336
H	-5.723311 3.336457 -1.185676
H	-0.897354 -7.836219 3.312387
H	-0.270066 -6.537308 -2.622535
H	1.231268 4.790885 4.612905
H	-0.027136 6.765326 3.394105
H	0.250491 -3.464067 -2.752526
H	1.025052 0.160209 0.520365
H	-0.169970 2.448986 0.409720
H	1.580657 6.400460 1.840405
H	1.119104 -0.275538 2.806941
H	1.910900 1.152406 2.358402
O	1.111221 0.604022 2.262545
 
