%chk=Al-ephx-TS_int2b-int2a_opt.chk
%nprocshared=8
%mem=28GB
#p opt=(TS,CalcFC,noeigentest) freq=noraman wB97XD/gen pseudo=read nosymm

Al-ephx-TS_int2b-int2a_opt

-1 1
 7                    1.586051   12.271380    0.177067
 8                    3.626036   10.541606    0.703381
 8                    0.779205    9.794604    1.272411
 8                    1.389657   12.063171    2.921275
17                    5.809436    8.866849   -0.361170
17                    6.504597   13.022518   -3.799805
17                   -1.487779    8.030214    1.901013
17                   -3.525043    9.984668   -2.750549
17                    1.954206   13.374771    5.537248
17                    0.590482   17.896298    2.830645
 6                    2.760636   13.119659   -0.132211
 1                    3.102149   13.556139    0.813281
 1                    2.448722   13.954056   -0.777912
 6                    3.889052   12.375757   -0.790705
 6                    4.254289   11.110093   -0.283458
 6                    5.331489   10.469542   -0.927287
 6                    6.022739   11.033022   -1.983959
 1                    6.846601   10.504163   -2.442773
 6                    5.628160   12.279716   -2.437839
 6                    4.566394   12.949769   -1.860434
 1                    4.267016   13.919342   -2.239877
 6                    1.193021   11.467478   -1.003135
 1                    2.009308   10.775658   -1.220360
 1                    1.070815   12.128139   -1.873936
 6                   -0.068271   10.678622   -0.780510
 6                   -0.159024    9.864457    0.370826
 6                   -1.330772    9.094241    0.495565
 6                   -2.356614    9.116186   -0.431972
 1                   -3.235831    8.503052   -0.290564
 6                   -2.222495    9.940111   -1.535199
 6                   -1.095474   10.720321   -1.715919
 1                   -1.013429   11.355903   -2.589596
 6                    0.452992   13.139089    0.572976
 1                   -0.378755   12.483594    0.840810
 1                    0.143735   13.747182   -0.290196
 6                    0.767994   14.015214    1.747240
 6                    1.207739   13.351694    2.910854
 6                    1.420891   14.152064    4.047978
 6                    1.234078   15.524253    4.037318
 1                    1.418382   16.105057    4.930434
 6                    0.819870   16.128349    2.862299
 6                    0.585106   15.391520    1.715238
 1                    0.251960   15.884348    0.809621
13                    2.206925   10.801035    1.845370
 6                    2.057087    7.359624    2.937522
 6                    1.177410    7.396797    4.179387
 6                    3.172794    6.319378    2.966005
 1                    1.423555    7.212239    2.058785
 1                    0.413565    8.163180    4.075755
 1                    1.765577    7.527573    5.083985
53                    0.069276    5.543373    4.458345
 1                    3.664910    6.339495    3.941177
 1                    2.708738    5.335741    2.844023
 8                    2.552845    8.688293    2.750560
 6                    3.418810    9.315753    3.660954
 8                    3.423001   10.544483    3.325170
 8                    3.970570    8.712850    4.542800
 6                    4.205790    6.542309    1.865960
 1                    3.704427    6.683484    0.900562
 1                    4.749338    7.471247    2.060377
 6                    5.193697    5.381527    1.767308
 1                    5.655120    5.221617    2.748285
 1                    4.647610    4.461471    1.528577
 6                    6.281225    5.620349    0.722880
 1                    6.876877    6.499752    0.980410
 1                    6.957232    4.765439    0.642922
 1                    5.841245    5.799831   -0.261993
   
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    

