%chk=RO-TS.chk
%nprocshared=12
%mem=22GB
#p opt=(calcfc,noeigentest,ts) freq=noraman b97d3/gen pseudo=read nosymm iop(1/8=1)

RO-TS

-1 1
 Al                -5.70983100    2.30471600    4.15003700
 O                 -4.06430700    2.68558600    3.16877800
 O                 -5.21280000    3.42394000    5.57718600
 N                 -6.40603500    4.21867900    3.06778700
 O                 -7.48816100    1.99959400    4.53661800
 O                 -5.68892600    1.12052000    2.41677800
 C                 -6.12452200    4.17964800    6.20226700
 C                 -6.98299700    5.02505500    5.45089800
 C                 -8.05185400    5.67675800    6.06380400
 C                 -8.27952500    5.56497500    7.44181400
 C                 -7.33387600    4.85903000    8.19637900
 C                 -6.24605800    4.19045100    7.61420800
 C                 -6.59779200    5.35583400    4.03572000
 H                 -8.73313900    6.26342500    5.44721600
 H                 -7.44615700    4.81632000    9.28210500
 C                 -8.59928000    2.73466500    4.44602400
 C                 -9.59679200    2.62732200    5.45118000
 C                -10.75503700    3.39786700    5.34676900
 C                -10.98073200    4.29255900    4.28803300
 C                 -9.97715100    4.40824100    3.32380200
 C                 -8.80224900    3.64861400    3.38645200
 H                -11.50288100    3.31459700    6.13770400
 H                -10.09448600    5.12218900    2.50642400
 C                 -7.69967800    3.88486700    2.39712700
 C                 -3.44383300    3.92221600    3.21062400
 C                 -2.20644300    4.08731800    3.83759500
 C                 -1.60549800    5.34955100    3.74983100
 C                 -2.20400700    6.42163700    3.06909500
 C                 -3.46461400    6.22081700    2.49009700
 C                 -4.09291600    4.97394000    2.56099400
 H                 -0.63504800    5.49823500    4.22503400
 H                 -3.96977200    7.04468200    1.98517200
 C                 -5.46512500    4.70473700    2.00607300
 C                 -6.16601500   -0.16416900    2.22459700
 C                 -7.51274900   -0.43217800    1.91353000
 C                 -7.93403900   -1.77324800    1.88108400
 C                 -7.07421300   -2.84936800    2.11848000
 C                 -5.71693700   -2.56027300    2.29033600
 C                 -5.25856000   -1.24169200    2.32336600
 H                 -1.32249600   -1.08504200    1.65641000
 H                 -8.98852500   -1.97088600    1.68437600
 H                 -5.01357500   -3.36582100    2.48938800
 H                 -4.54057000   -1.03741200    0.07621400
 Al                -4.06746100    1.68728500    1.56448200
 H                 -1.61753200    0.32984900    2.68458900
 O                 -2.50929600    2.56757400    1.09119400
 N                 -3.20249200   -0.13604600    1.40761700
 O                 -4.89300400    1.76953800   -0.07549900
 H                 -7.49753600    3.00810300    1.77635300
 C                 -1.41598700    2.12211400    0.48230400
 C                 -0.96223800    0.80012500    0.69173000
 C                  0.16191400    0.32380800    0.01317900
 C                  0.87209500    1.13851600   -0.87713100
 C                  0.42718200    2.45997900   -1.04886200
 C                 -0.69295600    2.97219500   -0.38795600
 C                 -1.71672600   -0.05855100    1.66120600
 H                  0.47912800   -0.70861900    0.17249400
 H                  0.96895700    3.11438300   -1.73468400
 C                 -4.09881700    1.46383900   -1.12403100
 C                 -3.99204100    2.35343500   -2.21560900
 C                 -3.08779700    2.05700600   -3.24010300
 C                 -2.28919900    0.90278600   -3.22605900
 C                 -2.44204700    0.01377000   -2.15774900
 C                 -3.33011200    0.27465600   -1.10984700
 H                 -2.97882300    2.76684000   -4.06218700
 H                 -1.82399700   -0.88296500   -2.11279000
 C                 -3.49947700   -0.70278500    0.03068300
 H                 -2.86017700   -1.58435500   -0.11437900
 H                 -5.62853800    5.86237100    4.08578200
 H                 -7.32294800    6.06137800    3.60103200
 H                 -7.98297400    4.71648300    1.73002900
 C                 -3.79011100   -0.99404500    2.50265300
 H                 -3.25378100   -1.95087700    2.53745500
 H                 -3.59466700   -0.45302100    3.43569300
 H                 -5.44500400    3.95039600    1.20781100
 H                 -5.87834900    5.62224800    1.55509400
 O                 -4.98449600    0.72101000    4.99300800
 C                 -4.93158100    0.03104300    6.26021500
 C                 -5.47631800   -0.94239100    5.30703500
 H                 -3.89799800   -0.11858400    6.58579400
 C                 -6.95047800   -1.15205400    5.30587900
 H                 -7.21207800   -1.92279800    4.58248600
 H                 -7.42054900   -0.21106200    4.99655800
 C                 -5.89907300    0.42466900    7.36902800
 H                 -5.36216000    0.89216100    8.19713600
 H                 -6.60869700    1.15893800    6.97914100
 C                 -7.43605100   -1.54188600    6.72747500
 C                 -6.61614600   -0.85597000    7.84719200
 H                 -7.33080700   -2.62645900    6.82343100
 H                 -8.50032700   -1.28401200    6.81619400
 H                 -7.25496600   -0.62452700    8.70986200
 H                 -5.84916200   -1.56365700    8.19065500
 H                 -4.80768400   -1.54777200    4.72609400
 Cl                -4.93379500   -3.69889700    5.73049200
 Cl                -1.05868653    0.63574598   -4.45574542
 Cl                 2.23737845    0.50850929   -1.79184005
 Cl                -4.94616270    3.83228720   -2.19986240
 Cl                -1.37828349    7.96950084    2.92803402
 Cl                -1.44125664    2.72558273    4.64862329
 Cl                -1.26186340    4.62188717   -0.61699772
 Cl                -7.64563740   -4.50795679    2.26045676
 Cl                -8.66584449    0.84176629    1.53269312
 Cl                -9.30074070    1.61284627    6.85858634
 Cl               -12.46049327    5.24160357    4.20305661
 Cl                -9.71796430    6.26267432    8.17782218
 Cl                -4.99744675    3.45810766    8.61532896

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        



