%chk=Al-cho_int1b_opt.chk
%nprocshared=12
%mem=24GB
#p opt=(TS,CalcFC,noeigentest) freq=noraman b97d3/gen pseudo=read nosymm

Al-cho_ts1b_opt

-1 1
 13                    1.778819   10.669246    1.905556
  7                    1.497610   12.065169    0.226014
  8                    3.475908   10.414022    1.349203
  8                    0.423223    9.664475    1.236849
  8                    1.428359   12.039200    3.043839
 17                    5.692312    8.519104    0.847580
 17                    6.709774   11.852793   -3.435877
 17                   -2.071427    8.094499    1.731613
 17                   -3.615722   10.225300   -3.103337
 17                    2.139145   13.522422    5.532871
 17                    0.634759   17.922477    2.583233
  6                    2.773953   12.808728   -0.028803
  1                    3.036296   13.311352    0.912311
  1                    2.585891   13.596492   -0.779972
  6                    3.898093   11.915857   -0.479027
  6                    4.192362   10.759179    0.289455
  6                    5.295411    9.967649   -0.119510
  6                    6.069026   10.287922   -1.236395
  1                    6.906951    9.657978   -1.523631
  6                    5.729049   11.426787   -1.969306
  6                    4.656702   12.241394   -1.613318
  1                    4.415217   13.124970   -2.202749
  6                    1.119806   11.295446   -1.001308
  1                    1.918545   10.559261   -1.166619
  1                    1.119286   11.979393   -1.868551
  6                   -0.212800   10.607241   -0.882757
  6                   -0.454603    9.795307    0.260893
  6                   -1.703630    9.124386    0.308821
  6                   -2.664871    9.235044   -0.696237
  1                   -3.610075    8.704778   -0.617826
  6                   -2.377860   10.051993   -1.790787
  6                   -1.172354   10.742476   -1.895415
  1                   -0.973574   11.375631   -2.759173
  6                    0.410107   13.036627    0.564509
  1                   -0.482623   12.439349    0.797253
  1                    0.175098   13.641894   -0.329085
  6                    0.759670   13.934812    1.721005
  6                    1.240750   13.338875    2.921024
  6                    1.517591   14.218091    3.999296
  6                    1.336740   15.598878    3.920056
  1                    1.563972   16.236133    4.770332
  6                    0.868274   16.130012    2.717202
  6                    0.585574   15.321806    1.618012
  1                    0.226755   15.762568    0.688751
  8                    1.936044    9.476852    3.348086
  6                    3.131478    9.117114    4.114841
  6                    2.699435    7.966698    3.319795
  6                    2.903701    9.120539    5.609219
  1                    4.035216    9.623244    3.768894
  6                    1.717441    6.952402    3.846187
  1                    3.144052    7.845014    2.337474
  6                    1.647363    8.323577    6.003068
  1                    2.838765   10.163063    5.957529
  1                    3.799899    8.663226    6.056803
  6                    1.672291    6.914955    5.385146
  1                    2.008597    5.970733    3.451414
  1                    0.729030    7.202756    3.427712
  1                    1.592520    8.252902    7.101197
  1                    0.751284    8.868810    5.667012
  1                    2.572049    6.383894    5.731611
  1                    0.791475    6.337798    5.709714
 53                    5.269918    6.184907    4.017759
   
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    

