%nprocshared=24
%mem=122GB
%chk=Al_int2A.chk
#p opt freq wb97xd/6-311g(d,p) scrf=(smd,solvent=toluene)

Int2A with AlMe catalyst

-1 1
H         -4.55612        2.23979        2.23561
H         -2.79734        0.94054        1.19875
H         -2.58913       -0.28310       -0.93054
C         -4.69890        1.17707        2.08196
C         -3.69653        0.42829        1.47430
C         -2.20922       -1.29813       -0.72700
C         -2.87201       -2.14713       -1.83328
C         -5.86315        0.55170        2.51574
C         -3.82924       -0.96536        1.27600
C         -2.63058       -1.76237        0.73109
H         -6.63119        1.13355        3.00753
H         -2.53214       -3.20414       -1.76246
C         -6.02593       -0.82345        2.33001
C         -5.02133       -1.58102        1.71248
O         -2.90869       -3.15069        0.69923
H         -3.00336       -3.49709        1.62602
H         -6.92586       -1.30611        2.68528
H         -5.17160       -2.64684        1.61606
H         -2.55634       -1.77271       -2.83044
O         -0.80460       -1.34708       -0.96385
Br        -4.81287       -2.10632       -1.78830
H         -3.20731        3.35795       -2.80173
H          3.11303       -2.96900       -1.54731
H         -3.44245        2.00542       -1.63944
C         -2.67886        2.62044       -2.15942
H          2.42197       -4.00923       -0.24570
C          3.32766       -3.45846       -0.57649
H         -2.06471        1.96797       -2.81498
H         -2.30313        5.29281       -1.80960
H          4.14939       -4.18802       -0.73035
C         -1.79796        3.29732       -1.14653
C         -1.72319        4.69916       -1.11152
C          3.68595       -2.42180        0.45063
O          1.59071       -1.37128        0.11089
H          5.64981       -3.22786        0.83059
H         -1.82629        7.27042        0.01036
C          4.93840       -2.45125        1.08150
H          1.60445       -0.43302       -4.31961
C          2.76621       -1.40968        0.77370
O         -1.04623        1.18988       -0.31173
C         -1.02417        2.53697       -0.24597
C         -0.89271        5.34392       -0.18661
C         -0.81843        6.84449       -0.17928
Al         0.26908       -0.07795       -0.03534
H         -0.45612        7.20607       -1.16558
C          2.17897       -1.14086       -3.68584
H          1.46728       -1.80120       -3.14576
C          5.27729       -1.47733        2.03027
C          3.09578       -0.44399        1.73455
H          2.81234       -1.77234       -4.34301
H          1.36692        0.11696        2.79709
H          7.24055       -2.33650        2.35986
C         -0.21927        3.17100        0.69011
O          1.02175        0.44973       -1.64538
C         -0.14480        4.57552        0.71955
H         -0.12566        7.21796        0.60418
C          4.35441       -0.47868        2.35217
C          6.61100       -1.49335        2.71335
C          3.00420       -0.37292       -2.69393
C          2.10676        0.61139        2.13563
H          6.46485       -1.59708        3.80955
C          2.37221        0.43769       -1.73896
N          1.41718        1.29333        0.99955
H          4.89323       -1.16187       -3.37567
C          4.40311       -0.50579       -2.66760
H          0.49042        5.06861        1.44499
C          0.54465        2.31551        1.66078
H          4.61508        0.26427        3.09744
H          2.61302        1.34831        2.80295
H          7.14491       -0.54193        2.50670
C          3.13892        1.15075       -0.80527
H          1.13928        2.98378        2.32714
C          5.16638        0.16884       -1.69973
C          2.42285        2.03197        0.17193
H          6.89489       -0.46487       -0.61562
C          4.53142        1.01721       -0.78612
H         -0.20871        1.81030        2.30722
C          6.64961       -0.02888       -1.60922
H          1.93629        2.79742       -0.46910
H          3.13859        2.58626        0.82287
H          7.01707       -0.72735       -2.38996
H          5.11614        1.54587       -0.04202
H          7.17341        0.94260       -1.71667
C         -1.58895       -1.52229        1.84415
C         -0.27681       -2.13387        1.71003
O         -0.46722       -0.70240        1.61328
H         -1.90794       -1.58717        2.90800
H         -0.22678       -2.77975        0.80078
H          0.21842       -2.42770        2.65714



