%chk=LO-ts2a1-cis.chk
%nprocshared=8
%mem=22GB
#p opt=(TS,CalcFC,noeigentest) freq=noraman b97d3/gen pseudo=read nosymm

LO-ts2a1-cis

-1 1
 N                  1.61289200   12.05298000   -0.19112500
 O                  3.47432000   10.14611600   -0.89411300
 O                  0.68833600    9.51758300   -1.23635600
 O                  0.95870500   11.83675200   -2.93069400
 C                  2.87331600   12.83098000    0.03663800
 H                  3.10466000   13.31658200   -0.92041500
 H                  2.66138700   13.63717300    0.75932700
 C                  4.03731300   12.00713700    0.52059100
 C                  4.28407700   10.72027500   -0.02086100
 C                  5.43060800   10.00208800    0.42682100
 C                  6.27113400   10.57674900    1.37997800
 H                  7.14630300   10.01091400    1.71207900
 C                  6.03127000   11.84715400    1.93304700
 C                  4.90056000   12.53785600    1.48869600
 H                  4.67900200   13.52612300    1.90143000
 C                  1.27005200   11.22860500    1.01579100
 H                  2.11243200   10.55208500    1.18142100
 H                  1.21151200   11.89894700    1.88923200
 C                 -0.01122800   10.45056200    0.86824900
 C                 -0.20144900    9.60807900   -0.25658300
 C                 -1.39263000    8.83459300   -0.34185700
 C                 -2.34314000    8.92939400    0.67532800
 H                 -3.25662000    8.33339200    0.59311000
 C                 -2.17573400    9.76984800    1.79017500
 C                 -1.00087200   10.52451700    1.85811800
 H                 -0.83931600   11.19131700    2.70936300
 C                  0.48809000   13.00703800   -0.45320500
 H                 -0.41069300   12.38948100   -0.56124500
 H                  0.35279800   13.63784000    0.44178900
 C                  0.68534400   13.84524600   -1.67860800
 C                  0.88044400   13.16032500   -2.90100100
 C                  0.97129800   13.91541800   -4.10135100
 C                  0.88218300   15.30757100   -4.03274200
 H                  0.96125300   15.88043400   -4.96137500
 C                  0.71164700   16.00110100   -2.82076000
 C                  0.61779400   15.24263500   -1.64884000
 H                  0.47623700   15.74535200   -0.68798600
 Al                 1.96349500   10.70910100   -1.83348000
 C                  3.76018200   10.70328600   -3.95101900
 O                  3.68697500   11.63977900   -3.17440500
 O                  4.32247900   10.29768900   -4.92942200
 O                  2.51444700    9.66450100   -3.34901000
 C                  2.17874200    8.28022000   -3.54457700
 C                  1.75076500    8.02563800   -5.00665100
 C                  3.26616700    7.32776300   -3.04026400
 H                  1.28922500    8.14605700   -2.92346000
 C                  2.89444500    7.69423900   -5.95402700
 C                  4.44410100    7.15552000   -4.01550400
 H                  3.60887600    7.70978400   -2.07380600
 H                  2.78959500    6.35450700   -2.86471100
 C                  3.90840100    6.69237600   -5.38944100
 H                  2.48170500    7.34154900   -6.90849500
 H                  3.40594300    8.64574000   -6.14450700
 H                  3.43397300    5.70594800   -5.29917600
 H                  4.74692600    6.58765000   -6.09215000
 C                  0.81199100    9.09167300   -5.53287200
 H                  0.00046200    9.28484900   -4.82568900
 H                  1.37147900   10.02418600   -5.65528300
 H                  0.39341300    8.79269600   -6.50044900
 Cl                 0.66489300    6.39204200   -4.88876100
 C                 -3.23245000    9.84810000    2.86825400
 H                 -4.21292500   10.13777400    2.46091400
 H                 -3.37267100    8.88195400    3.37714100
 H                 -2.96465600   10.58561900    3.63570500
 C                 -1.58813600    7.94941700   -1.54428100
 H                 -1.54746900    8.53204200   -2.47416100
 H                 -0.78980200    7.20034700   -1.62882000
 H                 -2.55135400    7.42541000   -1.50174400
 C                  5.69352900    8.63684700   -0.14962300
 H                  4.86403800    7.94862300    0.06487000
 H                  5.77954800    8.67223600   -1.24267600
 H                  6.61681500    8.20211000    0.25411500
 C                  1.18127700   13.18901000   -5.40294300
 H                  2.14732900   12.66795800   -5.40731700
 H                  0.41417600   12.41853100   -5.55360500
 H                  1.15714100   13.88091000   -6.25479100
 C                  0.65034500   17.51130900   -2.79518200
 H                  1.61252800   17.96652400   -3.07725400
 H                 -0.10348500   17.90242700   -3.49473300
 H                  0.39478600   17.88360900   -1.79457500
 C                  6.97249900   12.44135400    2.95557300
 H                  7.93488100   12.73557900    2.50762900
 H                  6.54325200   13.33893000    3.41991700
 H                  7.20194200   11.72993000    3.76265500
 H                  4.90781100    8.13612200   -4.16632200
 C                  5.51364700    6.22214300   -3.48150800
 C                  6.80144900    6.59732300   -3.45730400
 H                  7.10924000    7.58741600   -3.79402200
 H                  7.58807500    5.93550200   -3.09016700
 C                  5.08411200    4.86335700   -2.98213300
 H                  4.49875500    4.95183400   -2.05613300
 H                  4.44014500    4.34801300   -3.70812600
 H                  5.94835700    4.22138500   -2.77304200
   
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        


