%chk=LO-ts2b2-trans.chk
%nprocshared=12
%mem=22GB
#p opt=(TS,CalcFC,noeigentest) freq=noraman b97d3/gen pseudo=read nosymm iop(1/8=5)

LO-ts2b2-trans

-1 1
 N                  1.58818700   12.28077300   -0.22292700
 O                  3.46169700   10.28277100   -0.11590600
 O                  1.16578700    9.59922100   -1.53362300
 O                  1.69049600   11.86235900   -2.99720100
 C                  2.67615700   12.99188700    0.53025900
 H                  3.29798600   13.47619400   -0.23638900
 H                  2.21555900   13.80176100    1.12009500
 C                  3.50243600   12.11396300    1.43286800
 C                  3.88790700   10.81656900    1.01137500
 C                  4.73316700   10.04450000    1.85999500
 C                  5.14872400   10.57624800    3.07920600
 H                  5.79778600    9.97134600    3.71893800
 C                  4.75757600   11.85488700    3.51904900
 C                  3.92909800   12.60104000    2.67628700
 H                  3.60631800   13.59845100    2.98783500
 C                  0.74314800   11.45429900    0.70467100
 H                  1.42298100   10.77023700    1.21818800
 H                  0.31348800   12.12325900    1.46700200
 C                 -0.35259800   10.68296800    0.01323700
 C                 -0.06005900    9.75706800   -1.02777800
 C                 -1.12460800    8.95359800   -1.52792900
 C                 -2.41602100    9.12600900   -1.02712500
 H                 -3.21686700    8.50265600   -1.43438200
 C                 -2.72595800   10.06874500   -0.03401400
 C                 -1.67032300   10.83055300    0.47094000
 H                 -1.86694300   11.56177300    1.25938900
 C                  0.71891600   13.30266400   -0.90194900
 H                 -0.14246400   12.74779600   -1.28874400
 H                  0.35777500   14.01026400   -0.13800800
 C                  1.41699200   14.00552900   -2.02507200
 C                  1.86763500   13.17993100   -3.08322500
 C                  2.49477900   13.78212500   -4.20524100
 C                  2.64311900   15.17175900   -4.22344200
 H                  3.13963400   15.62927300   -5.08403000
 C                  2.20530800   16.00240000   -3.17519400
 C                  1.59535400   15.39214200   -2.07326600
 H                  1.24469900   16.00440400   -1.23768400
 Al                 2.46620400   10.90663000   -1.56691500
 C                  4.89793100   10.13991600   -2.93939400
 O                  4.09184700   11.05369000   -2.51734900
 O                  6.00974500   10.28511800   -3.41696400
 O                  4.28111200    8.88689300   -2.80273900
 C                  4.83648100    7.69652900   -3.43857600
 C                  3.65893400    6.72945000   -3.18427200
 C                  5.02312400    7.91123300   -4.94958000
 C                  2.37674800    7.14382400   -3.87963300
 C                  3.73594200    8.40862600   -5.61716700
 H                  5.83521100    8.62654000   -5.10141000
 H                  5.33228900    6.95159700   -5.38493000
 C                  2.55276900    7.44929600   -5.38333600
 H                  1.61923400    6.36352400   -3.74883900
 H                  2.01515400    8.02798300   -3.34355900
 Cl                 4.13831400    4.97154700   -3.75577100
 C                 -4.14442300   10.25188500    0.45394900
 H                 -4.78962900   10.69911200   -0.31824500
 H                 -4.60565200    9.29466300    0.73851200
 H                 -4.18292700   10.90999100    1.33160300
 C                 -0.83617300    7.92074300   -2.58284800
 H                 -0.42551600    8.37200600   -3.49204300
 H                 -0.08608600    7.20030500   -2.23381500
 H                 -1.74406200    7.36830000   -2.85540700
 C                  5.13949500    8.67292400    1.39099100
 H                  4.26128400    8.02551400    1.25837400
 H                  5.62188300    8.72474900    0.40640200
 H                  5.82668700    8.19305400    2.09965700
 C                  3.01913300   12.90218700   -5.30799600
 H                  3.77986800   12.21581300   -4.91669400
 H                  2.22015400   12.27847400   -5.72934000
 H                  3.46228100   13.49674400   -6.11721000
 C                  2.38817000   17.50128200   -3.24943900
 H                  3.42566900   17.77327400   -3.49296100
 H                  1.74954100   17.95677000   -4.02255500
 H                  2.13715400   17.98207000   -2.29501100
 C                  5.22662800   12.39402100    4.85096400
 H                  6.31769500   12.54086500    4.87423700
 H                  4.76288100   13.36357000    5.07473200
 H                  4.98032100   11.71262200    5.67937400
 H                  3.49123100    9.40314900   -5.22710600
 C                  6.12207700    7.27767400   -2.73006900
 H                  6.85864400    8.07837200   -2.82754100
 H                  5.92450800    7.10539900   -1.66486700
 H                  6.52274600    6.35614300   -3.16420300
 H                  3.50961600    6.59532700   -2.11151600
 H                  3.89948100    8.52887500   -6.69811400
 H                  2.78865200    6.49629800   -5.87899000
 C                  1.24380900    7.96627600   -5.95738300
 C                  0.42037700    7.14537500   -6.62685000
 H                 -0.54214100    7.48604000   -7.01155300
 H                  0.67827100    6.09999300   -6.80365200
 C                  0.90131200    9.41842900   -5.72819700
 H                  1.08638000    9.74977800   -4.69943900
 H                  1.52140700   10.06565100   -6.36442000
 H                 -0.14819600    9.62354400   -5.96957600
   
C,H,O,N 0
6-311G**
****
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        
****
Cl     0 
S   2   1.00
      2.2310000             -0.4900589        
      0.4720000              1.2542684        
S   1   1.00
      0.1631000              1.0000000        
P   2   1.00
      6.2960000             -0.0635641        
      0.6333000              1.0141355        
P   1   1.00
      0.1819000              1.0000000        
****

AL     0
AL-ECP     2     10
d   potential
  5
1    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
  5
0    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
  6
0    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        
CL     0
CL-ECP     2     10
d   potential
  5
1     94.8130000            -10.0000000        
2    165.6440000             66.2729170        
2     30.8317000            -28.9685950        
2     10.5841000            -12.8663370        
2      3.7704000             -1.7102170        
s-d potential
  5
0    128.8391000              3.0000000        
1    120.3786000             12.8528510        
2     63.5622000            275.6723980        
2     18.0695000            115.6777120        
2      3.8142000             35.0606090        
p-d potential
  6
0    216.5263000              5.0000000        
1     46.5723000              7.4794860        
2    147.4685000            613.0320000        
2     48.9869000            280.8006850        
2     13.2096000            107.8788240        
2      3.1831000             15.3439560        


