%nprocshared=28
%mem=120GB
%chk=Scan_O_to_CH2Br_closure_wAl.chk
#p opt freq wb97xd/6-311g(d,p) scrf=(smd,solvent=toluene)

ProdAD from eigendisplacement of TSclosure-k1Al

-1 1
H    -4.283718    1.055350    4.444694 
H    -2.874402    0.629184    2.464975 
H    -2.351896    1.958289    0.260141 
C    -4.747216    0.876446    3.481742 
C    -3.956067    0.640378    2.368189 
C    -2.585904    1.161882    -0.441729 
H    -3.822499    -1.980013    -0.409444 
C    -3.470604    1.506129    -1.638343 
C    -3.055673    -1.250532    -0.141794 
C    -6.133422    0.885176    3.361747 
C    -4.541053    0.410770    1.124805 
C    -3.692729    0.153129    -0.084850 
H    -6.752573    1.072737    4.235012 
O    -2.460903    -1.622811    1.069321 
H    -3.959159    2.483337    -1.579346 
C    -2.025362    -1.130682    -1.236876 
H    -1.114551    -1.733419    -1.161350 
C    -6.721229    0.656682    2.125299 
C    -5.926094    0.422376    1.009351 
O    -4.383649    0.436311    -1.322599 
H    -1.546173    -1.289670    1.085111 
H    -2.371720    -0.931054    -2.258960 
H    -7.801333    0.661865    2.023364 
H    -6.374051    0.255863    0.036716 
H    -2.999162    1.377100    -2.616150 
O    -1.428147    0.428589    -0.771909 
Br    -2.622856    -3.596076    -2.334319 
H    1.373776    2.894794    2.435628 
H    3.111207    3.025984    2.128590 
H    1.156762    0.848078    3.018539 
H    2.920682    0.888545    3.172581 
C    2.144558    2.785967    1.664993 
H    3.622317    4.912448    0.706778 
C    2.093613    0.575870    2.518180 
C    2.676503    4.782515    0.183201 
H    3.898473    -1.197167    3.492347 
C    1.840410    3.731290    0.546787 
H    5.331821    -3.593849    2.676637 
C    3.153959    -1.675696    2.859640 
C    2.323366    5.666845    -0.831699 
C    2.145366    -0.900964    2.304854 
N    2.138220    1.356898    1.258970 
C    0.628111    3.540354    -0.115451 
C    4.378639    -3.863125    3.145235 
H    4.235823    1.078422    1.144210 
C    3.247935    -3.036616    2.589870 
C    1.182838    -1.476155    1.469239 
C    3.371077    1.091756    0.467966 
Al    0.290721    0.813034    -0.034233 
C    1.102791    5.458810    -1.479663 
O    0.202124    -0.706949    0.941078 
H    4.214961    -4.928896    2.968077 
H    3.485065    1.950935    -0.198832 
H    4.493452    -3.717806    4.223836 
C    2.296537    -3.586877    1.737190 
C    1.265942    -2.842773    1.166941 
H    5.092244    -1.015250    0.530781 
C    3.356382    -0.156176    -0.376870 
C    4.334506    -1.134108    -0.239406 
H    2.357918    -4.643530    1.489137 
H    -0.737557    -3.320697    0.484557 
O    1.352863    0.583057    -1.431688 
C    0.306625    -3.477329    0.205224 
C    2.348041    -0.315841    -1.336809 
H    6.261594    -2.991607    -0.350486 
C    4.342054    -2.273571    -1.034120 
H    0.439719    -3.068276    -0.801384 
H    0.474414    -4.553354    0.133440 
C    5.340045    -3.376027    -0.796451 
H    4.930704    -4.126280    -0.109865 
C    2.363293    -1.433453    -2.186005 
C    3.352584    -2.394459    -2.008870 
H    0.296190    -1.495269    -2.813676 
C    1.299827    -1.577147    -3.237509 
H    5.604369    -3.889634    -1.725096 
H    3.338079    -3.277893    -2.643006 
H    1.383681    -0.791049    -3.995005 
H    1.369527    -2.545951    -3.739638 
H    2.684099    7.739155    -1.326274 
H    4.038353    6.939346    -0.523473 
C    3.230724    6.797189    -1.245608 
O    -0.175175    2.523079    0.241360 
C    0.250198    4.410494    -1.148124 
H    3.688201    6.601145    -2.220643 
H    0.808930    6.133725    -2.281716 
H    -1.891854    4.201631    -1.173764 
C    -1.045465    4.167334    -1.866336 
H    -1.211983    4.909919    -2.650286 
H    -1.049217    3.173388    -2.326482 



