%chk=CAT.chk%nprocshared=4%mem=6GB#p opt freq=noraman b97d3/gen pseudo=read nosymmCAT0 1 Al                -0.23281200   -0.81642300    1.10013600 N                 -0.39424300   -0.78751900   -0.90110700 O                  1.50765000   -1.07573300    1.28928900 O                 -0.83664800    0.79657700    1.50710400 O                 -1.28583000   -2.18166700    1.49921500 C                  2.43830400   -0.84332500    0.33574800 C                  3.73265500   -0.46019300    0.73673900 C                  4.68921000   -0.21273700   -0.24283500 C                  4.41459700   -0.32536300   -1.61163400 C                  3.12963100   -0.70969900   -1.98205200 C                  2.13841600   -0.98131700   -1.03184500 H                  5.08230400   -0.05799800    2.36573300 H                  5.68554200    0.08586900    0.07213500 H                  5.08916000   -0.12899300   -3.65616700 H                  2.88734400   -0.81509800   -3.03604000 H                 -1.63569700    2.77454500    3.23375900 C                 -1.67257700   -3.14769700    0.63533800 C                 -1.82143000   -2.88700900   -0.73916000 C                 -2.20389800   -3.92525200   -1.59647400 C                 -2.46389100   -5.20798500   -1.12420900 C                 -2.32578700   -5.43351100    0.25121000 C                 -1.93480100   -4.43621200    1.13912500 C                 -0.41579200    0.65145400   -1.35163000 H                 -2.31247100   -3.71517300   -2.65700700 H                 -2.18314500   -7.16296600   -2.01283700 H                 -2.52451800   -6.42663800    0.64533900 H                 -0.75244900   -4.51474600    2.93987200 C                 -1.59345900    1.57304300    0.69883000 C                 -1.47940200    1.50507600   -0.70186700 C                 -2.29974800    2.31462000   -1.49639000 C                 -3.21367800    3.20364700   -0.93927500 C                 -3.29183800    3.26336200    0.45785100 C                 -2.50657000    2.46884400    1.28731000 C                  0.79634700   -1.50968200   -1.48057400 H                 -2.20679200    2.25339500   -2.57730800 H                 -3.91293300    5.14121800   -1.60659700 H                 -3.99649300    3.95093200    0.91801200 C                 -1.67579900   -1.48505600   -1.28242200 H                 -2.48313000   -0.84772900   -0.91015100 H                 -1.74695600   -1.49652200   -2.37572200 H                  0.72256000   -1.46945800   -2.57307800 H                  0.57833600    1.04737900   -1.12517200 H                 -0.53405000    0.66791500   -2.44077200 H                  0.68102700   -2.55624500   -1.18404300 H                  6.32007100   -0.74411600   -2.55097900 C                 -1.78166100   -4.69308400    2.61431300 H                 -2.41138700   -4.01540800    3.19727800 H                 -2.05084600   -5.72147500    2.86263000 C                 -2.88370700   -6.32276600   -2.05300500 H                 -3.87153400   -6.71318300   -1.78804900 H                 -2.93063900   -5.97974500   -3.08883100 C                 -2.60522400    2.53608800    2.78778100 H                 -3.32882800    3.29174500    3.09944700 H                 -2.90799500    1.57141300    3.20567900 C                 -4.09197100    4.07902800   -1.80183500 H                 -3.90768400    3.90231900   -2.86375300 H                 -5.15377000    3.89068800   -1.61333400 C                  4.03655600   -0.32693100    2.20479200 H                  3.40555500    0.43689500    2.66892400 H                  3.82950400   -1.26111900    2.73398800 C                  5.48341200   -0.04366400   -2.64122000 H                  5.89317600    0.96489400   -2.52754300  C,H,O,N 06-311G******Al     0 S   2   1.00      0.9615000             -0.5021546              0.1819000              1.2342547        S   1   1.00      0.0657000              1.0000000        P   2   1.00      1.9280000             -0.0712584              0.2013000              1.0162966        P   1   1.00      0.0580000              1.0000000        ****AL     0AL-ECP     2     10d   potential  51    304.7291926            -10.0000000        2     61.5299768            -63.8079837        2     13.9259006            -22.8972174        2      4.1463626             -8.0063232        2      1.3715443             -0.8829345        s-d potential  50    467.8437756              3.0000000        1     79.3992216             50.9705682        2     25.4035967            143.8716460        2      6.9954696             48.0055753        2      1.7860129             14.0114180        p-d potential  60    776.2717190              5.0000000        1    118.4992254             93.0595424        2     34.4107276            266.7686329        2      8.7859563             70.0725805        2      2.3406228             17.2290839        2      0.7398386              0.7105331        