%chk=Dec-TS.chk
%nprocshared=8
%mem=25GB
#p opt=(ts,calcfc,noeigentest,notrustupdate) iop(1/8=1) freq=noraman b97d3/gen pseudo=read nosymm

Ins-TS

-1 1
 Al                -5.56109000    2.73789400    4.60926900
 O                 -4.40467700    2.63431100    3.06156200
 O                 -5.10516800    4.30504400    5.45285900
 N                 -6.66159900    4.32536200    3.01785600
 O                 -7.28232200    2.44082000    5.13112200
 O                 -5.72012300    0.32030600    2.66291400
 C                 -6.07740200    5.05537300    5.96098100
 C                 -6.98621600    5.74054400    5.11207400
 C                 -8.05491900    6.47067800    5.63881000
 C                 -8.23200300    6.51860400    7.01676500
 C                 -7.36084900    5.88057200    7.89418300
 C                 -6.29441100    5.16854700    7.35081600
 C                 -6.73356400    5.69117300    3.62513100
 H                 -8.76676700    6.95852900    4.98015800
 H                 -7.51975000    5.90439800    8.96590300
 C                 -8.43219800    3.08249700    5.09969600
 C                 -9.26891200    3.16472700    6.23897400
 C                -10.47765600    3.85517000    6.24906100
 C                -10.89177200    4.47506300    5.07556400
 C                -10.11811800    4.43020800    3.92260900
 C                 -8.89860700    3.74878500    3.93421300
 H                -11.06341800    3.92188200    7.15816400
 H                -10.44287800    4.94892500    3.02456700
 C                 -8.01323000    3.78559300    2.72331500
 C                 -3.78918200    3.83591700    2.76014500
 C                 -2.58186000    4.24506200    3.33659800
 C                 -2.01355200    5.48165100    3.03284600
 C                 -2.69025900    6.31671800    2.15108700
 C                 -3.93710700    5.98527900    1.63379200
 C                 -4.49697300    4.74923800    1.96885000
 H                 -1.06547300    5.77053800    3.46999500
 H                 -4.48215600    6.68462200    1.00760100
 C                 -5.93707000    4.41653100    1.71078500
 C                 -6.42030000   -0.74555900    2.29204800
 C                 -7.83454700   -0.81554200    2.39074000
 C                 -8.58122600   -1.91609000    1.96917600
 C                 -7.91743600   -3.01063200    1.43218300
 C                 -6.53297300   -3.02542500    1.34138900
 C                 -5.79822200   -1.91964300    1.78255800
 H                 -1.94642600   -2.22282700    0.88069600
 H                 -9.66116100   -1.90135800    2.06207000
 H                 -6.01715500   -3.89623800    0.94571400
 H                 -5.06952900   -1.01263300   -0.35521000
 Al                -4.16596100    1.04633700    1.94350900
 H                 -1.97068200   -1.24506400    2.37282200
 O                 -2.39450700    1.53096800    1.75951600
 N                 -3.59244500   -0.90851500    1.11327900
 O                 -4.82897200    1.64610200    0.30551600
 H                 -7.86187800    2.78067700    2.31893500
 C                 -1.43890200    1.14155500    0.93703700
 C                 -1.21385400   -0.22907100    0.65730400
 C                 -0.18466700   -0.65483700   -0.18343300
 C                  0.63985900    0.29081800   -0.78134900
 C                  0.43320400    1.65191800   -0.58836500
 C                 -0.60145100    2.05485000    0.25484600
 C                 -2.13264400   -1.21869700    1.29340500
 H                 -0.03885500   -1.71377100   -0.38018100
 H                  1.04373000    2.39096900   -1.09414200
 C                 -4.10394300    1.51417300   -0.79986700
 C                 -3.82143300    2.58662600   -1.67371100
 C                 -2.96357500    2.46626900   -2.76458400
 C                 -2.39961000    1.22133800   -3.02524300
 C                 -2.70440600    0.10808100   -2.25164500
 C                 -3.55745300    0.25131800   -1.15528000
 H                 -2.73244000    3.32991800   -3.37735800
 H                 -2.25810800   -0.85486600   -2.47960200
 C                 -3.97579000   -0.94351900   -0.34125100
 H                 -3.57115500   -1.86704500   -0.78295700
 H                 -5.75872800    6.15497600    3.44523900
 H                 -7.49443600    6.28693200    3.09333500
 H                 -8.49483800    4.39710400    1.93943300
 C                 -4.30735600   -2.02199100    1.81639400
 H                 -3.99297700   -2.97446900    1.36140600
 H                 -3.95819300   -2.00005800    2.84980700
 H                 -6.02198100    3.45436600    1.20044300
 H                 -6.40624700    5.18389500    1.07374800
 O                 -3.03173300   -0.70303500    4.19824600
 C                 -2.14952700   -0.18823400    4.86006900
 O                 -2.21302700    0.20093500    6.12311100
 O                 -0.93696200   -0.00555500    4.29066300
 C                  0.20540200    0.54689700    5.03078600
 C                  0.86509500   -0.66039600    5.70337400
 H                  0.15486200   -1.16027900    6.36296100
 C                  1.09193500    1.23026100    3.99090900
 H                  0.49083200    1.98292100    3.47358900
 H                  1.88712100    1.75767100    4.53412900
 O                 -4.63956900    1.41934500    5.33174100
 C                 -3.47353100    0.02556600    6.89204800
 C                 -4.78794500    0.31367800    6.14177000
 H                 -3.34501600    0.80441500    7.65032600
 C                 -3.48197200   -1.37788600    7.51396600
 C                 -5.87563400    0.46550100    7.23544900
 H                 -3.14871000   -2.09691700    6.75436200
 H                 -2.75720700   -1.41436500    8.33821900
 C                 -4.90029600   -1.75912200    8.00978600
 H                 -6.84785800    0.32578700    6.75574600
 H                 -5.85226600    1.50139100    7.58784200
 C                 -5.69316500   -0.50961700    8.42539700
 H                 -4.82328800   -2.47249100    8.84122500
 H                 -6.67054100   -0.79653300    8.83460200
 H                 -5.15500700   -0.00759000    9.24364200
 C                  1.70020600    0.23484100    2.99355700
 H                  0.90036400   -0.17923400    2.36961000
 H                  2.37887600    0.76451500    2.31362500
 C                  1.52298300   -1.61517600    4.71462300
 H                  0.69342100   -2.08972400    4.16541600
 H                  2.04930700   -2.41278500    5.25121900
 C                  2.44094800   -0.90334800    3.71008500
 H                  2.81737300   -1.63281200    2.98073700
 H                 -5.03015500   -0.56700400    5.52670000
 H                 -5.44344300   -2.27195200    7.20436600
 H                 -0.16554100    1.25062800    5.77575400
 H                  3.31449100   -0.50384300    4.24487900
 I                  2.36157600    0.08905400    7.21434900
 C                 -2.05202169    7.66592111    1.77174004
 H                 -2.30541496    7.90868645    0.76092015
 H                 -2.41875062    8.43010917    2.42475343
 H                 -0.98844904    7.59640061    1.86597441
 C                 -4.46388950    3.96280327   -1.41878791
 H                 -5.46391254    3.82906961   -1.06246049
 H                 -3.89213559    4.49313382   -0.68615774
 H                 -4.48200230    4.52238109   -2.33062375
 C                 -5.34463813    4.43013274    8.31220867
 H                 -5.56529732    3.38323669    8.29743773
 H                 -4.33222441    4.58564557    8.00279919
 H                 -5.47648581    4.80846212    9.30436947
 C                 -1.87972910    3.37101576    4.39237040
 H                 -2.17068928    2.34979156    4.26067643
 H                 -0.81927724    3.45723297    4.27875500
 H                 -2.16137680    3.69873116    5.37123566
 C                 -0.86082878    3.56596717    0.39923461
 H                 -1.91044883    3.75709061    0.31756715
 H                 -0.51104533    3.89823230    1.35430079
 H                 -0.34120911    4.09251022   -0.37384223
 C                 -1.39931849    1.08236721   -4.18787107
 H                 -1.89842711    1.28036357   -5.11339147
 H                 -0.60047858    1.78203363   -4.05663958
 H                 -1.00404233    0.08814681   -4.20138181
 C                  1.78989046   -0.17468676   -1.69367184
 H                  2.00158895    0.58521832   -2.41660200
 H                  2.66268049   -0.35743159   -1.10228205
 H                  1.50444940   -1.07528205   -2.19601786
 C                 -8.63803722    0.34123722    3.01352833
 H                 -8.33387839    0.48010773    4.02994477
 H                 -8.45668864    1.23945825    2.46106867
 H                 -9.68181361    0.10788154    2.98228793
 C                 -8.81579451    2.51028946    7.55730478
 H                 -8.87405556    1.44582386    7.46555165
 H                 -7.80632093    2.79535628    7.76849189
 H                 -9.45217881    2.83498184    8.35385350
 C                 -9.44888669    7.26533140    7.59399311
 H                -10.06867887    6.57688925    8.12953494
 H                 -9.11337834    8.03426057    8.25813321
 H                -10.01009962    7.70367425    6.79537205
 C                -12.21849515    5.25695053    5.06797577
 H                -12.94748104    4.71697315    4.50060992
 H                -12.56668242    5.37837473    6.07242676
 H                -12.06313572    6.21876303    4.62561827
 C                 -8.72988495   -4.22371085    0.94231934
 H                 -9.45649225   -4.48847724    1.68180606
 H                 -9.22622774   -3.97473092    0.02768672
 H                 -8.07142835   -5.05077754    0.77710558
 
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        
****
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               
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


