%chk=Dec-TS7.chk
%nprocshared=12
%mem=22GB
#p opt=(ts,calcfc,noeigentest,notrustupdate) iop(1/8=10) freq=noraman b97d3/gen pseudo=read nosymm

Ins-TS

-1 1
 Al                -5.64033900    2.73493300    4.60903800
 O                 -4.38766800    2.62294700    3.12759400
 O                 -5.14676700    4.24821700    5.52371900
 N                 -6.66308700    4.30124700    3.05745300
 O                 -7.37391300    2.45473800    5.12801400
 O                 -5.71662600    0.27883200    2.65256600
 C                 -6.11265100    5.01813000    6.01614600
 C                 -6.98652300    5.72585700    5.14933200
 C                 -8.04990400    6.47803700    5.65525900
 C                 -8.25700700    6.52345100    7.02923500
 C                 -7.42195200    5.85999400    7.92311400
 C                 -6.35972900    5.12687500    7.40044000
 C                 -6.70061500    5.67106600    3.66854500
 H                 -8.73524000    6.98556900    4.98355200
 H                 -7.60582400    5.88179800    8.99084400
 C                 -8.51083900    3.11145500    5.09128300
 C                 -9.36091200    3.19732200    6.21995500
 C                -10.55661800    3.90953600    6.21907200
 C                -10.94065100    4.54981600    5.04529300
 C                -10.15090600    4.50406500    3.90269800
 C                 -8.94533800    3.79907800    3.92693900
 H                -11.15641000    3.97763900    7.11898000
 H                -10.45287700    5.03896900    3.00604000
 C                 -8.03512100    3.81831800    2.73501600
 C                 -3.78151400    3.82043400    2.81465900
 C                 -2.58192600    4.25504500    3.38994500
 C                 -2.01841300    5.48801000    3.06557600
 C                 -2.69559500    6.30169800    2.16420100
 C                 -3.93808200    5.95160700    1.64997100
 C                 -4.48964200    4.71719800    2.00425300
 H                 -1.07509800    5.79182500    3.50290900
 H                 -4.48588400    6.63487900    1.00871900
 C                 -5.92699000    4.37358900    1.75049400
 C                 -6.39799300   -0.77788300    2.25736300
 C                 -7.81711300   -0.84120900    2.29343300
 C                 -8.55023100   -1.94029700    1.84886600
 C                 -7.86757800   -3.04379900    1.35228900
 C                 -6.48021300   -3.06764600    1.32358800
 C                 -5.75872400   -1.96226600    1.78728000
 H                 -1.90002100   -2.25348000    0.86826200
 H                 -9.63322800   -1.92104900    1.89387000
 H                 -5.95362400   -3.94443500    0.95573300
 H                 -5.03587300   -1.02872900   -0.29698400
 Al                -4.09048100    0.98415600    2.06550500
 H                 -1.90304400   -1.31647200    2.38361400
 O                 -2.33129200    1.51695900    1.80743000
 N                 -3.54460500   -0.95046300    1.15563200
 O                 -4.75027900    1.61347900    0.40997800
 H                 -7.91655800    2.81497500    2.31609400
 C                 -1.39556400    1.12104400    0.97312400
 C                 -1.17479000   -0.25226400    0.68392100
 C                 -0.15371700   -0.67290000   -0.17009800
 C                  0.66875400    0.27269200   -0.77047300
 C                  0.46846300    1.63344800   -0.56744900
 C                 -0.55710200    2.03314500    0.28700700
 C                 -2.08600200   -1.26102700    1.30925300
 H                 -0.01180200   -1.73098000   -0.37481600
 H                  1.07821000    2.37367500   -1.07250700
 C                 -4.05387700    1.49195700   -0.70912200
 C                 -3.78851700    2.56632900   -1.58891300
 C                 -2.95121600    2.45207300   -2.69634100
 C                 -2.39219200    1.20931800   -2.97549200
 C                 -2.68866700    0.09141500   -2.20569200
 C                 -3.52186600    0.22981900   -1.09422300
 H                 -2.73328900    3.31918600   -3.30913200
 H                 -2.25304600   -0.87260300   -2.44999900
 C                 -3.94190700   -0.97058200   -0.29234600
 H                 -3.55171600   -1.89290100   -0.75035400
 H                 -5.70703100    6.10088600    3.51123100
 H                 -7.42821300    6.29097800    3.11969100
 H                 -8.47261400    4.46280000    1.95288600
 C                 -4.26671000   -2.05726100    1.86407000
 H                 -3.93679800   -3.01818700    1.43837400
 H                 -3.94179500   -2.00971300    2.90611400
 H                 -6.00685600    3.40178500    1.25764200
 H                 -6.39705700    5.13011100    1.10250700
 O                 -3.15681700   -0.25654200    3.94286400
 C                 -2.23031600    0.05865100    4.67736300
 O                 -2.26716800    0.30380200    5.97271600
 O                 -0.99309200    0.14158700    4.15208900
 C                  0.17037200    0.54726400    4.95664000
 C                  0.71513300   -0.75111300    5.55961100
 H                 -0.05063900   -1.23881300    6.16336800
 C                  1.13269800    1.23451600    3.99050200
 H                  0.59156500    2.05233300    3.50487800
 H                  1.93647800    1.67858400    4.59240300
 O                 -4.87086500    1.30100300    5.24227000
 C                 -3.48161900    0.14598600    6.82431500
 C                 -4.85049500    0.26864700    6.13526800
 H                 -3.36055100    0.99953500    7.49931500
 C                 -3.34231100   -1.19370000    7.56839400
 C                 -5.90347100    0.39269900    7.27061300
 H                 -2.93700300   -1.94067900    6.87228500
 H                 -2.61096400   -1.07921600    8.37933500
 C                 -4.70364000   -1.67426200    8.12693300
 H                 -6.87613800    0.13082800    6.84350300
 H                 -5.96523800    1.44897300    7.54954400
 C                 -5.57975400   -0.47297400    8.51187800
 H                 -4.53918000   -2.34446500    8.98105900
 H                 -6.50413400   -0.80788200    8.99973800
 H                 -5.04046900    0.13007900    9.25807800
 C                  1.71791500    0.26953700    2.94971900
 H                  0.92585300   -0.03624500    2.25803700
 H                  2.46816600    0.79526900    2.34622900
 C                  1.32877700   -1.67966000    4.51973100
 H                  0.48400100   -2.03480000    3.90679600
 H                  1.76485700   -2.55999200    5.00548500
 C                  2.33919200   -0.97194000    3.60617200
 H                  2.68781100   -1.67334900    2.83680000
 H                 -5.02854000   -0.67715700    5.59063500
 H                 -5.22743200   -2.26183700    7.36099500
 H                 -0.17152100    1.22653500    5.73698900
 H                  3.21770600   -0.68392700    4.20073500
 Cl                 2.00522400   -0.27120700   -1.84888400
 Cl                -1.24480800    1.05513300   -4.35446000
 Cl                -4.53926400    4.16444200   -1.28854500
 Cl                -1.95750200    7.87321500    1.69353700
 Cl                -8.80056400   -4.46323400    0.74813600
 Cl                -5.30114500    4.23190000    8.53833300
 Cl                -8.86308000    2.40474100    7.74621500
 Cl               -12.47767900    5.49325800    5.02350000
 Cl                -9.67514800    7.42946000    7.67755300
 Cl                -1.77261900    3.28766700    4.63730900
 Cl                -8.75821500    0.50984100    2.97210500
 Cl                -0.84415700    3.78327400    0.48042800
 I                  2.21003500   -0.21758400    7.15502000
 
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


