%chk=Al-ephx-ts1b_opt.chk
%nprocshared=8
%mem=18GB
#p opt=(TS,CalcFC,noeigentest) freq=noraman m062x/gen pseudo=read nosymm

Al-ephx-ts1b_opt

-1 1
 N                  1.56314700   11.87810800    0.20294600
 O                  3.46205800    9.93820200    0.72848700
 O                  0.39536700    9.52437600    1.07882500
 O                  1.91456900   11.60027600    2.92125700
 Cl                 5.38661600    8.02371100   -0.42308100
 Cl                 6.31563000   12.03369200   -3.97910900
 Cl                -2.09459800    8.05882000    1.62621900
 Cl                -3.89158000   10.69272300   -2.78534400
 Cl                 3.00801400   12.78763200    5.38615800
 Cl                 1.20635500   17.43850800    3.21378500
 C                  2.84145000   12.57679500   -0.08483700
 H                  3.26281500   12.89220300    0.87387900
 H                  2.63361500   13.48333100   -0.66999900
 C                  3.83752400   11.71598800   -0.81076400
 C                  4.09185400   10.42317700   -0.31041500
 C                  5.05466600    9.66058300   -0.99361800
 C                  5.73821600   10.13270800   -2.10006500
 H                  6.47071100    9.51149700   -2.59645400
 C                  5.45227300   11.40867400   -2.55399700
 C                  4.50706300   12.20053100   -1.92850500
 H                  4.29662000   13.19356700   -2.30709400
 C                  1.02291000   11.27979700   -1.04395200
 H                  1.72400600   10.50336800   -1.36276300
 H                  0.99596400   12.04667800   -1.83071600
 C                 -0.34172500   10.67470300   -0.87058600
 C                 -0.54078700    9.78333000    0.20117600
 C                 -1.80660400    9.18090600    0.29960800
 C                 -2.82754500    9.43875100   -0.59810800
 H                 -3.78784500    8.95461600   -0.48669200
 C                 -2.58794400   10.33217100   -1.62834800
 C                 -1.36209800   10.95526000   -1.77244600
 H                 -1.19993700   11.65025400   -2.58742900
 C                  0.57767700   12.83570200    0.76631000
 H                 -0.29508000   12.25473100    1.07842300
 H                  0.25206000   13.52534700   -0.02460200
 C                  1.10832900   13.61163400    1.93883000
 C                  1.73859100   12.89311100    2.97463100
 C                  2.19178300   13.63978200    4.07665900
 C                  2.03204800   15.01114000    4.16624400
 H                  2.39457300   15.54764700    5.03198500
 C                  1.40823900   15.67211700    3.12163700
 C                  0.95096700   14.99120500    2.00858800
 H                  0.46890200   15.53075200    1.20201000
 Al                 1.94028400   10.27916900    1.67610500
 O                  2.27065600    8.96346900    2.91592100
 C                  2.99997300    7.76152800    2.70671800
 C                  1.67309800    7.31825600    3.09881900
 C                  4.17055800    7.62098200    3.64454800
 H                  3.26132700    7.59399400    1.66072100
 H                  0.88806300    7.27546700    2.35991800
 H                  1.41235300    7.34178700    4.14372300
 I                  1.78243500    4.62820000    3.22891400
 H                  3.79831500    7.63915300    4.67493000
 H                  4.63104000    6.64194900    3.48023000
 C                  5.16896200    8.75587700    3.42720300
 H                  5.50787900    8.74793900    2.38525800
 H                  4.64734400    9.70814000    3.57741900
 C                  6.37250100    8.67987500    4.36240400
 H                  6.89695500    7.73104100    4.20371500
 H                  6.02263900    8.67023300    5.40068900
 C                  7.33715600    9.84558500    4.15677900
 H                  8.19804900    9.78570800    4.82707600
 H                  7.70965100    9.86098100    3.12882300
 H                  6.83193700   10.79786700    4.33916500

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        
****
I     0 
S   2   1.00
      0.7242000             -2.9731048        
      0.4653000              3.4827643        
S   1   1.00
      0.1336000              1.0000000        
P   2   1.00
      1.2900000             -0.2092377        
      0.3180000              1.1035347        
P   1   1.00
      0.1053000              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        
I     0
I-ECP     3     46
f   potential
  5
0      1.0715702             -0.0747621        
1     44.1936028            -30.0811224        
2     12.9367609            -75.3722721        
2      3.1956412            -22.0563758        
2      0.8589806             -1.6979585        
s-f potential
  5
0    127.9202670              2.9380036        
1     78.6211465             41.2471267        
2     36.5146237            287.8680095        
2      9.9065681            114.3758506        
2      1.9420086             37.6547714        
p-f potential
  5
0     13.0035304              2.2222630        
1     76.0331404             39.4090831        
2     24.1961684            177.4075002        
2      6.4053433             77.9889462        
2      1.5851786             25.7547641        
d-f potential
  5
0     40.4278108              7.0524360        
1     28.9084375             33.3041635        
2     15.6268936            186.9453875        
2      4.1442856             71.9688361        
2      0.9377235              9.3630657    

