%chk=LO-ts2a2-trans.chk
%nprocshared=12
%mem=22GB
#p opt=(TS,CalcFC,noeigentest) freq=noraman b97d3/gen pseudo=read nosymm iop(1/8=5)

LO-ts2a2-trans

-1 1
 N                  1.61631800   12.26652600   -0.15022000
 O                  3.55592400   10.59336500   -1.20198600
 O                  0.75599700    9.78436100   -1.44198400
 O                  0.78519000   12.27706200   -2.82757000
 C                  2.86639400   13.02812700    0.16187200
 H                  3.08317400   13.63151000   -0.73124700
 H                  2.64949800   13.74105900    0.97593600
 C                  4.04184800   12.17117900    0.53762000
 C                  4.33351100   11.00758100   -0.21530800
 C                  5.49872600   10.25717400    0.11411800
 C                  6.30383100   10.67688600    1.17342200
 H                  7.19505400   10.08950200    1.41231100
 C                  6.01117300   11.81527500    1.94527600
 C                  4.86827100   12.54426500    1.60558300
 H                  4.60843300   13.43675800    2.18139200
 C                  1.30383500   11.29306600    0.94794100
 H                  2.15029700   10.60230900    1.00296300
 H                  1.26565500   11.84045500    1.90449700
 C                  0.01946700   10.54276100    0.72245300
 C                 -0.16388400    9.81994900   -0.48354400
 C                 -1.37931300    9.10553700   -0.67432000
 C                 -2.34923100    9.12501000    0.32897900
 H                 -3.28161500    8.57768500    0.16365800
 C                 -2.17924900    9.83277600    1.53173700
 C                 -0.98582800   10.54174600    1.69879200
 H                 -0.82514400   11.11543300    2.61558200
 C                  0.48466200   13.24145700   -0.27731900
 H                 -0.41879800   12.64024700   -0.42256700
 H                  0.37965700   13.78224700    0.67890500
 C                  0.65697300   14.18836000   -1.42524500
 C                  0.78279700   13.60021400   -2.70488100
 C                  0.89190200   14.43925700   -3.84497500
 C                  0.87568000   15.82433300   -3.66079600
 H                  0.97116100   16.46761200   -4.54046600
 C                  0.76024200   16.42356600   -2.39258500
 C                  0.65758400   15.57974300   -1.28019200
 H                  0.56764300   16.00993600   -0.27885500
 Al                 1.94368100   11.08714300   -1.98298400
 C                  3.10443600   10.05397000   -4.24945200
 O                  2.99849600   11.18576600   -3.66408200
 O                  3.76938000    9.71511100   -5.21446800
 O                  2.20020700    9.19121700   -3.57409000
 C                  2.12546300    7.75092100   -3.59433600
 C                  1.70466700    7.20049400   -4.97624600
 C                  3.36076300    7.06909500   -2.99954800
 H                  1.28674900    7.59581800   -2.91318500
 C                  2.85660300    6.85019800   -5.90542800
 C                  4.52122800    6.85861100   -3.98995300
 H                  3.68102900    7.66800800   -2.14149600
 H                  3.02770100    6.09615000   -2.61533600
 C                  4.00258300    6.09180500   -5.22814900
 H                  2.46597400    6.28986800   -6.76519900
 H                  3.23588900    7.81316600   -6.26892500
 H                  3.65760400    5.08960400   -4.93912900
 H                  4.82481100    5.95904900   -5.94486200
 C                  0.62500700    8.03038500   -5.64178500
 H                 -0.20092100    8.23074300   -4.95368500
 H                  1.05706800    8.98926800   -5.95016000
 H                  0.24116800    7.51488500   -6.52891500
 Cl                 0.83757000    5.49223500   -4.52849900
 C                 -3.25035400    9.81958100    2.59812400
 H                 -4.23741800   10.08059400    2.18856500
 H                 -3.35242900    8.82822000    3.06671100
 H                 -3.02590500   10.53630700    3.39866100
 C                 -1.58713800    8.37075900   -1.97226700
 H                 -1.36426400    9.02596300   -2.82367500
 H                 -0.91315400    7.50803300   -2.06637200
 H                 -2.61771600    8.00490800   -2.06363700
 C                  5.82303500    9.02919200   -0.69271500
 H                  5.09564400    8.22635900   -0.50752800
 H                  5.77809500    9.23527400   -1.76804200
 H                  6.82013500    8.64024200   -0.45259200
 C                  1.05247400   13.79821500   -5.19782300
 H                  1.91746000   13.12392300   -5.20213200
 H                  0.18121200   13.17476300   -5.44358300
 H                  1.17650100   14.55192200   -5.98626800
 C                  0.73862900   17.92840100   -2.24843300
 H                  1.57234200   18.40192800   -2.78744500
 H                 -0.18897300   18.36767200   -2.64821500
 H                  0.81346800   18.23031700   -1.19560400
 C                  6.89928700   12.22246500    3.09859100
 H                  7.93771700   12.39322600    2.77646500
 H                  6.54455700   13.15008200    3.56613500
 H                  6.93293000   11.45148700    3.88381400
 H                  4.85216400    7.84238200   -4.33775100
 C                  5.71124200    6.16368000   -3.35567900
 C                  6.94630200    6.67088400   -3.48395400
 H                  7.12156400    7.60758100   -4.01296900
 H                  7.81945000    6.17712900   -3.05357100
 C                  5.46513200    4.88600900   -2.58926500
 H                  4.91546500    5.08395200   -1.65816000
 H                  4.85546900    4.17591800   -3.16506500
 H                  6.40678000    4.39147100   -2.32216600
   
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        


