%chk=TS3a-trans.chk
%nprocshared=12
%mem=22GB
#p opt=(TS,ReadFC,noeigentest) iop(1/8=1) freq=noraman b97d3/gen pseudo=read nosymm

TS3a-trans

-1 1
 Al                -5.11609400    7.28902700   -2.86284900
 N                 -6.82994300    7.40572000   -1.55528700
 O                 -4.02969800    7.74547800   -1.46135500
 O                 -5.67600800    5.61167300   -3.33395600
 O                 -3.54834500    6.89958800   -3.89402300
 O                 -5.77358100    8.63771800   -3.88313500
 C                 -4.20515300    7.94177400   -0.14673700
 C                 -3.08957100    7.86401300    0.72745500
 C                 -3.30351400    7.93642900    2.10545700
 C                 -4.57863000    8.10218300    2.66768700
 C                 -5.65502700    8.25817700    1.78917900
 C                 -5.48089600    8.20871200    0.39939100
 H                 -2.44206400    7.83017300    2.76629300
 H                 -6.65816600    8.42443800    2.18652300
 C                 -6.82984300    9.44213400   -3.76637400
 C                 -7.97782700    9.08159100   -3.02266300
 C                 -9.04690500    9.98082100   -2.91234200
 C                 -9.02707100   11.23039900   -3.53990200
 C                 -7.88097500   11.56974500   -4.28005500
 C                 -6.78759900   10.71030500   -4.40272700
 C                 -6.99573300    6.08632800   -0.85817400
 H                 -9.91685700    9.68949800   -2.32087200
 H                 -7.83445900   12.54494900   -4.76890600
 C                 -6.68917100    4.81548200   -3.00061200
 C                 -7.38832200    4.97072100   -1.78232500
 C                 -8.43810400    4.10265200   -1.46069500
 C                 -8.82138100    3.06525800   -2.31757600
 C                 -8.14424600    2.95044900   -3.54324700
 C                 -7.10149900    3.80571000   -3.90998100
 C                 -6.63152900    8.47451200   -0.52650800
 H                 -8.96731200    4.24499000   -0.51679500
 H                 -8.45154100    2.17473600   -4.24727900
 C                 -8.04482800    7.72586400   -2.37352100
 H                 -8.12959000    6.93854400   -3.13093200
 H                 -8.93550300    7.65598400   -1.72811900
 H                 -7.56598300    8.58614300    0.04807600
 H                 -6.03669900    5.87739700   -0.37072900
 H                 -7.74662600    6.20059500   -0.05982000
 H                 -6.47493800    9.40956000   -1.07760200
 C                 -2.54577200    7.45284500   -4.42568600
 O                 -1.43365400    6.91401200   -4.62958400
 Al                 0.53307300    4.33700900   -0.21366800
 N                  1.37349100    4.43825200    1.78780600
 O                  1.13896400    6.05832500   -0.49777400
 O                  1.65810600    2.93445700   -0.54893500
 O                 -0.21534000    4.10984400   -1.91503100
 O                 -1.11834500    4.10704700    0.58460500
 C                  1.72510900    6.99677000    0.25344300
 C                  2.30340800    8.13168500   -0.37788300
 C                  2.92385800    9.11229900    0.39878200
 C                  3.01379800    9.02523100    1.79708100
 C                  2.44159000    7.90553800    2.40474200
 H                  3.35703400    9.97640300   -0.10866600
 H                  2.48481600    7.80108400    3.49031000
 C                 -1.57990900    4.03150100    1.83710600
 C                 -0.72573600    3.70734400    2.91728200
 C                 -1.21011400    3.70694100    4.23153800
 C                 -2.54562100    4.00032900    4.51915600
 C                 -3.39072900    4.28763900    3.43503900
 C                 -2.95010800    4.29797700    2.10882900
 C                  2.84852300    4.19412600    1.73195200
 H                 -0.51901700    3.47900500    5.04525700
 H                 -4.43898300    4.52212200    3.62705600
 C                  2.58222900    2.26729300    0.13637500
 C                  3.20373200    2.80315400    1.28749400
 C                  4.15201300    2.04548900    1.98709000
 C                  4.52831500    0.76639300    1.56551200
 C                  3.90619300    0.25046500    0.41473100
 C                  2.94482600    0.96536000   -0.30163800
 C                  1.10794000    5.78382600    2.37930700
 H                  4.60847500    2.47319800    2.88176600
 H                  4.17462000   -0.75044600    0.07022300
 C                  0.71403700    3.39123900    2.63450200
 H                  0.81380700    2.44192200    2.09553700
 H                  1.27382300    3.29360100    3.57864600
 H                  1.40857700    5.77173100    3.43994200
 H                  3.26057400    4.94157500    1.04268700
 H                  3.27902900    4.39618800    2.72679400
 H                  0.02201700    5.92656700    2.35839800
 C                 -1.24136600    4.94484300   -2.41098700
 C                 -3.06935700    3.32826100   -3.41916100
 H                 -1.24761700    5.93611700   -1.94191100
 C                 -0.59096700    5.00080700   -3.75851000
 C                 -1.05970400    4.04069400   -4.79177700
 C                 -2.57685700    3.82917800   -4.79746300
 H                 -0.56994000    3.08877100   -4.51530200
 H                 -2.83399700    3.11172900   -5.58746000
 H                 -3.07869900    4.77383500   -5.02406600
 O                 -2.78568300    8.74698700   -4.79836700
 C                 -1.88957900    9.62169200   -5.53977800
 C                 -0.64607900   10.04929200   -4.72155600
 H                 -2.52595800   10.50625100   -5.61255200
 C                 -0.32848700    8.26521900   -7.13303900
 C                  0.60842500    9.23079800   -4.97881000
 C                  0.88231700    8.94265600   -6.45815300
 H                  0.45261500    8.28656000   -4.44882600
 H                  1.12526400    9.88342100   -6.96830300
 H                  1.76057800    8.28883000   -6.54415400
 C                 -6.43792800    3.71927300   -5.25972900
 H                 -6.47143400    4.69185900   -5.76778100
 H                 -5.37712900    3.45984200   -5.17302400
 H                 -6.92918900    2.96872800   -5.89037700
 C                 -9.91722800    2.09529600   -1.93865300
 H                -10.53093500    1.82236400   -2.80764900
 H                 -9.50559100    1.16138700   -1.52621300
 H                -10.58219600    2.52288600   -1.17770900
 C                -10.19836800   12.18152500   -3.44182200
 H                 -9.86696300   13.20818200   -3.23338500
 H                -10.77613000   12.21256200   -4.37834000
 H                -10.88633300   11.88254900   -2.64130700
 C                 -4.76590100    8.09213300    4.16705100
 H                 -4.46254700    7.12477200    4.59277500
 H                 -4.15757300    8.86532000    4.65786400
 H                 -5.81418200    8.26685500    4.43929500
 C                 -1.70943200    7.63988100    0.17771900
 H                 -1.51261000    6.56965800    0.05071700
 H                 -1.59429300    8.10800900   -0.80401000
 H                 -0.94074200    8.03458000    0.85094000
 C                 -5.54623200   11.08601600   -5.16811400
 H                 -4.67191600   11.09370500   -4.50398200
 H                 -5.32494200   10.34067100   -5.94252200
 H                 -5.64940800   12.07313600   -5.63430100
 C                  2.22597700    8.26458900   -1.87272300
 H                  2.75282300    7.44276100   -2.37539500
 H                  1.18532700    8.22568900   -2.21161900
 H                  2.66288500    9.21247400   -2.20713400
 C                  2.25927300    0.40147700   -1.51826500
 H                  1.17724000    0.31628400   -1.35304500
 H                  2.37628700    1.07224800   -2.37918600
 H                  2.65815400   -0.58731400   -1.77532100
 C                  3.70099500   10.10383000    2.60276700
 H                  4.75518800   10.21839600    2.31082400
 H                  3.21910100   11.08197000    2.46083100
 H                  3.67551200    9.87344000    3.67472400
 C                 -3.91471800    4.57066400    0.98791300
 H                 -3.51117200    5.29357400    0.27687000
 H                 -4.13079700    3.65394300    0.42204100
 H                 -4.85687800    4.96363600    1.38427700
 C                 -3.06995400    4.00961100    5.93716200
 H                 -3.54700100    4.96878900    6.18486400
 H                 -3.82430000    3.22476800    6.09604400
 H                 -2.26133900    3.84311400    6.65950800
 C                  5.57313200   -0.03523800    2.30862000
 H                  5.22690200   -1.05787900    2.51489900
 H                  6.50604900   -0.12142300    1.73089400
 H                  5.82289400    0.43313800    3.26866000
 C                  0.77835100    5.57250100   -3.89591200
 H                  1.02786900    6.20117600   -3.04376700
 H                  1.49443200    4.74130800   -3.92781200
 H                  0.85885000    6.11883800   -4.84043100
 H                 -0.66186700    4.32696900   -5.77289800
 C                 -2.63189800    4.31200900   -2.31333800
 H                 -3.35732800    5.12373600   -2.30781300
 H                 -2.66348700    3.82523200   -1.33802200
 H                  1.46238200    9.73547600   -4.51419200
 C                 -1.57770600    9.15493300   -6.96946900
 H                 -1.44200500   10.07128800   -7.55773400
 H                 -2.46685500    8.64665500   -7.36236600
 C                 -0.94688300   10.25493200   -3.24944600
 H                 -1.81775000   10.90119900   -3.10790400
 H                 -1.16817200    9.28557600   -2.78905500
 H                 -0.08244800   10.69229300   -2.74117400
 Cl                -0.26118800   11.83638500   -5.43300400
 C                  1.79319900    6.90863900    1.66342600
 C                 -0.06217300    7.91949700   -8.58682700
 C                 -0.04808400    6.63914200   -8.98720900
 C                  0.19280400    9.04661700   -9.55961400
 H                 -0.23863700    5.82647100   -8.28732800
 H                  0.15063200    6.36453900  -10.02309300
 H                 -0.67841500    9.71147900   -9.63762800
 H                  1.03553000    9.67276500   -9.23625200
 H                  0.41582500    8.66167900  -10.56089700
 H                 -0.52083800    7.33059100   -6.60201300
 C                 -2.73061400    1.85797500   -3.21935600
 C                 -1.67273700    1.41153900   -2.52583200
 C                 -3.70373900    0.90620600   -3.87928300
 H                 -1.48964600    0.34001600   -2.43011300
 H                 -0.97737600    2.09316800   -2.04308600
 H                 -4.70875500    1.02285000   -3.44650800
 H                 -3.80661000    1.11397600   -4.95492900
 H                 -3.39257300   -0.13855300   -3.76248700
 H                 -4.16422800    3.39179400   -3.44035800
   
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        


