%chk=Al-ephx-ts1b_opt.chk
%nprocshared=8
%mem=18GB
#p opt=(TS,CalcFC,noeigentest) freq=noraman wb97xd/gen pseudo=read nosymm

Al-ephx-ts1b_opt

-1 1
 N                  1.56075100   11.83741600    0.12854800
 O                  3.43413800    9.80583700    0.53860900
 O                  0.34997700    9.45060900    0.91462800
 O                  1.98111600   11.34436300    2.83292200
 Cl                 5.35394700    7.90325200   -0.65495300
 Cl                 6.14446600   11.91509700   -4.24516000
 Cl                -2.16471000    8.04035500    1.52411200
 Cl                -4.12363600   11.07220300   -2.55198600
 Cl                 3.28286600   12.29048300    5.30868000
 Cl                 1.77128600   17.19190300    3.48512500
 C                  2.85424900   12.47772700   -0.20446400
 H                  3.33061500   12.75876800    0.73819100
 H                  2.66590800   13.40682500   -0.76142800
 C                  3.78552000   11.59622100   -0.98600900
 C                  4.04003000   10.29504900   -0.51017700
 C                  4.98246200    9.53424200   -1.22201100
 C                  5.62828500   10.00931400   -2.34882500
 H                  6.34239900    9.38754100   -2.87093900
 C                  5.33246400   11.28688500   -2.78869600
 C                  4.41972900   12.08148500   -2.12252500
 H                  4.20676000   13.08123300   -2.48215400
 C                  0.91241800   11.34568800   -1.10940400
 H                  1.56386200   10.57573300   -1.53144100
 H                  0.86059000   12.16397300   -1.84189000
 C                 -0.45873800   10.77509300   -0.88606100
 C                 -0.62748300    9.81281800    0.12818600
 C                 -1.90891100    9.25370100    0.26807700
 C                 -2.97205500    9.61796400   -0.53758600
 H                 -3.94288100    9.16302700   -0.39796800
 C                 -2.76180300   10.57626700   -1.51327100
 C                 -1.52241000   11.15910600   -1.69340500
 H                 -1.38131000   11.90724100   -2.46447600
 C                  0.67641900   12.81776400    0.80342600
 H                 -0.22840700   12.28461900    1.10737700
 H                  0.37186200   13.58771200    0.08020100
 C                  1.30951600   13.46681500    2.00091800
 C                  1.91929200   12.63975800    2.96516800
 C                  2.48141900   13.28021900    4.08293600
 C                  2.44062800   14.65128700    4.25720600
 H                  2.88573800   15.10384100    5.13249700
 C                  1.82807300   15.42136300    3.28472300
 C                  1.27084800   14.84619400    2.15889500
 H                  0.80509600   15.46967000    1.40477100
 Al                 1.92925000   10.10516500    1.51312400
 O                  2.22631700    8.70654900    2.67003600
 C                  3.18322300    7.65864700    2.62148800
 C                  1.90816900    6.98719200    2.79881600
 C                  4.19746000    7.73331700    3.73123800
 H                  3.63486400    7.54189600    1.63659200
 H                  1.29092900    6.77757200    1.94109000
 H                  1.47536300    6.92942200    3.78331200
 I                  2.47182400    4.27400900    2.99835400
 H                  3.67194700    7.74257000    4.69272900
 H                  4.80704100    6.82466400    3.70122900
 C                  5.05300700    8.99047000    3.59083300
 H                  5.55564200    8.98051900    2.61558100
 H                  4.39055200    9.86354900    3.59406800
 C                  6.08761000    9.14793900    4.70039900
 H                  6.76713300    8.28702100    4.69353400
 H                  5.57734700    9.12996900    5.67089500
 C                  6.88852400   10.44122100    4.57203900
 H                  7.63354900   10.53726900    5.36749100
 H                  7.41469200   10.47971500    3.61263300
 H                  6.22521700   11.30996600    4.62195400

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    

