%chk=IC-trans.chk%nprocshared=8%mem=22GB#p opt=tight freq=noraman b97d3/gen pseudo=read nosymmIC-trans0 1 N                 -0.39144800   -0.80859900   -0.55276400 O                  1.42342400   -0.67517300    1.60919700 O                 -1.27302200    0.87150500    1.57742800 O                 -1.31071500   -2.25704000    1.69338600 C                  2.36392200   -0.64717000    0.64963700 C                  3.64550900   -0.13924900    0.97454300 C                  4.62663500   -0.10114600   -0.01878200 C                  4.38810900   -0.53706700   -1.33373900 C                  3.11261300   -1.02225200   -1.63492600 C                  2.10389900   -1.09399200   -0.66360900 H                  4.93486300    0.69956000    2.48856900 H                  5.61112100    0.29296100    0.23802100 H                  5.09304100   -0.74077000   -3.37067200 H                  2.89085000   -1.36027800   -2.64810600 H                 -2.32642800    2.88146200    3.01262600 C                 -1.70344200   -3.16356700    0.78231000 C                 -1.88873300   -2.82410600   -0.57506900 C                 -2.27281600   -3.81166300   -1.49247200 C                 -2.50170200   -5.13293600   -1.09626700 C                 -2.31488300   -5.44843900    0.26033800 C                 -1.91786500   -4.49778100    1.20376300 C                 -0.23575100    0.57668700   -1.10781400 H                 -2.39737200   -3.53464500   -2.54019300 H                 -2.38116400   -7.12014000   -1.95529000 H                 -2.47360500   -6.47567000    0.59208500 H                 -0.66239700   -4.61547400    2.95349200 C                 -1.78140000    1.63923600    0.59238200 C                 -1.36415500    1.50444700   -0.75097200 C                 -1.96265300    2.28531000   -1.74947800 C                 -2.94736000    3.23168200   -1.45469500 C                 -3.31964600    3.37946400   -0.10919800 C                 -2.76389500    2.60800900    0.91502600 C                  0.75701300   -1.66817200   -1.00794200 H                 -1.63647000    2.15301100   -2.78186600 H                 -3.11782738    5.04164990   -2.63027027 H                 -4.07640800    4.12048400    0.15265800 C                 -1.69176700   -1.40105900   -1.01883300 H                 -2.48278200   -0.75153200   -0.62328700 H                 -1.73254100   -1.33293000   -2.11655300 H                  0.67150100   -1.81429400   -2.09535600 H                  0.71691100    0.95733100   -0.71969500 H                 -0.13403600    0.50540600   -2.20131900 H                  0.61253200   -2.64831700   -0.53728600 C                 -3.59909200    4.06134200   -2.53672300 H                 -3.53567283    3.56462683   -3.51554935 H                 -4.66412705    4.22831491   -2.32708061 C                  3.89975400    0.35900600    2.37296200 H                  3.22897500    1.19529400    2.61509900 H                  3.69828200   -0.41888100    3.11863600 C                  5.47941900   -0.48152600   -2.37809600 H                  5.92402900    0.52096800   -2.44172800 H                  6.29394000   -1.18225600   -2.14511800 C                 -1.69143000   -4.85138800    2.65071600 H                 -2.34938200   -4.26712800    3.30782500 H                 -1.87560700   -5.91631000    2.83052700 C                 -2.94679700   -6.18784500   -2.08294100 H                 -4.01088000   -6.43401700   -1.95385500 H                 -2.80956500   -5.84956400   -3.11661200 C                 -3.19438300    2.79410100    2.34743800 H                 -3.80882800    3.69479300    2.45552700 H                 -3.78458900    1.93939400    2.70494900 Al                -0.37984300   -0.71187600    1.53119100 O                 -0.29411700   -0.75945900    3.52926500 C                 -1.31500200   -0.83225900    4.59872300 C                 -0.37123500    0.31084900    4.51554100 C                 -1.02334000   -1.96456400    5.56888000 C                 -2.73827200   -0.69004600    4.12747600 H                 -0.75356400    1.23013800    4.07192600 C                  0.82560700    0.45109800    5.41578400 H                 -1.96649800   -2.25507500    6.04889800 H                 -0.70759200   -2.82436200    4.97071500 C                  0.00265600   -1.61400800    6.66224400 H                 -2.81333000    0.07307300    3.35063100 H                 -3.37434400   -0.40975200    4.97703000 H                 -3.09031600   -1.64308300    3.71890200 H                  0.56650200    1.24034700    6.13799400 C                  1.25011900   -0.81982200    6.21017300 H                  1.67088700    0.82844100    4.82761600 H                 -0.50996000   -0.99827000    7.41651200 H                  0.31963800   -2.53016200    7.17606000 C                  2.35875700   -1.63527100    5.54511300 H                  1.70471300   -0.43646200    7.13262200 C                  3.62767200   -1.42002400    5.92752500 C                  2.03843500   -2.65278100    4.48078700 H                  4.45709800   -1.95916600    5.47277700 H                  3.87933700   -0.69245500    6.69882100 H                  1.37764200   -3.43870400    4.87223600 H                  1.53098500   -2.19035000    3.63000800 H                  2.95463900   -3.13382300    4.12196700   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        