%chk=Int3b-cis.chk
%nprocshared=12
%mem=22GB
#p opt freq=noraman b97d3/gen pseudo=read nosymm

Int3b-cis

-1 1
 Al                -0.42938700    6.93765000   -7.44437800
 N                  0.59583200    8.57737600   -8.31064200
 O                  0.41877600    5.79136800   -8.58685200
 O                  0.18421600    7.42951200   -5.81979700
 O                 -1.13252200    5.35020300   -6.54731300
 O                 -2.04576900    7.58022700   -7.97839500
 C                  1.29636200    5.94813800   -9.58547900
 C                  2.01358700    4.81301500  -10.04476000
 C                  2.94784400    4.96576900  -11.07137500
 C                  3.21794600    6.20928400  -11.66704800
 C                  2.50010500    7.31509100  -11.20423800
 C                  1.53947700    7.20236400  -10.18998500
 H                  3.49427400    4.08428600  -11.41128800
 H                  2.68297000    8.29741700  -11.64375700
 C                 -2.39179700    8.70735600   -8.61584600
 C                 -1.53523000    9.83224900   -8.70149600
 C                 -1.94634300   10.97098200   -9.40708300
 C                 -3.19767100   11.04867600  -10.02506200
 C                 -4.03436800    9.92506100   -9.93268100
 C                 -3.66020900    8.76555600   -9.25009800
 C                  1.96233900    8.66076700   -7.68589600
 H                 -1.26360500   11.82012900   -9.46808100
 H                 -5.01206300    9.94917200  -10.41779100
 C                  1.00406600    8.39262600   -5.37491800
 C                  1.92488000    9.03447300   -6.23141400
 C                  2.78594600   10.01399400   -5.72150300
 C                  2.76556200   10.36943900   -4.36884300
 C                  1.81485300    9.75041400   -3.54318900
 C                  0.91935000    8.78962300   -4.01905100
 C                  0.72599700    8.40054800   -9.78928300
 H                  3.48940200   10.50211600   -6.39913100
 H                  1.77911800   10.01435900   -2.48678900
 C                 -0.19245300    9.81915700   -8.02287300
 H                 -0.30413700    9.87397400   -6.93452300
 H                  0.39929300   10.69479900   -8.33247300
 H                  1.16642900    9.31686500  -10.21546700
 H                  2.42684400    7.67765400   -7.83499400
 H                  2.56076000    9.39268400   -8.25086500
 H                 -0.29427900    8.32140300  -10.18333400
 C                 -1.44098600    4.17358600   -6.77415900
 O                 -0.94808300    3.13097400   -6.17188800
 Al                 0.68902500    4.81485500   -1.27480400
 N                  1.18852900    5.88003400    0.62286800
 O                  1.95065300    5.88563300   -2.07199200
 O                  1.19210100    3.27346800   -0.40104900
 O                  0.32926300    3.88815900   -2.78808800
 O                 -1.03605200    5.43913500   -1.04246700
 C                  2.76755200    6.87499100   -1.72825800
 C                  3.83384300    7.21661600   -2.60367800
 C                  4.71965100    8.22953400   -2.23549200
 C                  4.59328700    8.94361600   -1.03161800
 C                  3.52392500    8.61183900   -0.19331100
 H                  5.53767500    8.47482000   -2.91560100
 H                  3.39108500    9.14844900    0.74841900
 C                 -1.67518500    6.23088400   -0.18632700
 C                 -1.19313400    6.45607100    1.12489100
 C                 -1.87498700    7.32543200    1.98507700
 C                 -3.04811100    7.97809500    1.59347600
 C                 -3.52302900    7.73462900    0.29362300
 C                 -2.87070800    6.88042800   -0.59850200
 C                  2.42356800    5.28092300    1.21781300
 H                 -1.47157200    7.49588700    2.98511000
 H                 -4.43329800    8.23688600   -0.04057700
 C                  1.63499700    2.93203900    0.79978800
 C                  2.23645700    3.86356800    1.67896800
 C                  2.65738600    3.45623600    2.95085800
 C                  2.52426700    2.13229400    3.38264400
 C                  1.93263300    1.21529700    2.49559000
 C                  1.48536800    1.58341000    1.22553800
 C                  1.42464000    7.32994800    0.35290400
 H                  3.10339400    4.19735000    3.61769600
 H                  1.80722200    0.17746100    2.81211900
 C                  0.04736200    5.73949600    1.57824700
 H                 -0.14332500    4.66524200    1.68406100
 H                  0.36088400    6.11418100    2.56769800
 H                  1.54019500    7.85701600    1.31603800
 H                  3.19922200    5.34057000    0.44458400
 H                  2.75431100    5.91154400    2.06076500
 H                  0.50769700    7.71123700   -0.11032500
 C                 -0.58781600    4.02086200   -3.81356000
 C                 -1.76114400    1.94564100   -2.97664000
 H                 -0.73588700    5.06506000   -4.13279000
 C                  0.05101400    3.22943700   -4.99072900
 C                  0.21159000    1.76027000   -4.58894000
 C                 -1.09689400    1.12433000   -4.09478700
 H                  0.95012800    1.77000800   -3.78114700
 H                 -0.90500500    0.10516300   -3.73250900
 H                 -1.77931900    1.03542600   -4.94644200
 O                 -2.37819100    3.94446300   -7.69196300
 C                 -4.08745900    3.14693800   -8.96747100
 C                 -2.97885100    2.61414000   -8.03449800
 H                 -3.63445800    3.71117300   -9.78348500
 C                 -5.56699600    3.48458200   -6.84067600
 C                 -3.57264000    1.89958600   -6.79811000
 C                 -5.09155700    2.02842000   -6.63669500
 H                 -3.08516900    2.29251800   -5.90783100
 H                 -5.60528000    1.38738900   -7.35876700
 H                 -5.36301400    1.66920500   -5.63855200
 C                 -0.13723700    8.17294100   -3.14788100
 H                 -1.13352100    8.32878200   -3.58244400
 H                  0.00796400    7.09355700   -3.06619800
 H                 -0.12484300    8.60276800   -2.14133400
 C                  3.75425200   11.36451800   -3.81036500
 H                  3.37675200   11.82344100   -2.88859800
 H                  4.70522500   10.87398400   -3.55975600
 H                  3.97116400   12.16644800   -4.52927900
 C                 -3.64492000   12.29720200  -10.75036100
 H                 -4.15552900   12.05416600  -11.69209600
 H                 -4.34849600   12.88696300  -10.14320000
 H                 -2.79281400   12.94602500  -10.98744000
 C                  4.23640700    6.33395500  -12.77738600
 H                  5.19202400    5.86605000  -12.50077800
 H                  3.89197800    5.84426300  -13.70009900
 H                  4.43609300    7.38592000  -13.01565900
 C                  1.75322400    3.47602000   -9.40417300
 H                  2.09947700    3.46705400   -8.36290600
 H                  0.67936000    3.26254800   -9.36984300
 H                  2.26226100    2.67114200   -9.94704400
 C                 -4.56295100    7.56402200   -9.18168300
 H                 -4.04150600    6.67029100   -9.54784900
 H                 -4.85695300    7.35143000   -8.14577700
 H                 -5.47057600    7.71427500   -9.77800000
 C                  3.94024300    6.49702100   -3.91988900
 H                  3.98912200    5.41022300   -3.77476100
 H                  3.04590600    6.69092000   -4.52513400
 H                  4.82173500    6.82761900   -4.48173500
 C                  0.82985900    0.60494800    0.28653200
 H                 -0.20147600    0.90858400    0.05976300
 H                  1.35188000    0.57961800   -0.67876000
 H                  0.81335700   -0.40551200    0.71332800
 C                  5.56171500   10.04699200   -0.67083100
 H                  6.58360900    9.80468400   -0.99157300
 H                  5.29093100   11.00069700   -1.15011400
 H                  5.58216300   10.22030100    0.41281900
 C                 -3.41077800    6.62321800   -1.98131100
 H                 -2.61262400    6.65394400   -2.72984200
 H                 -3.85768500    5.62124100   -2.04948700
 H                 -4.18156500    7.35695400   -2.24687800
 C                 -3.78992700    8.90371900    2.53113800
 H                 -4.02830700    9.86186600    2.04793900
 H                 -4.74286400    8.46592700    2.86577400
 H                 -3.19469400    9.12015200    3.42690200
 C                  3.01507000    1.69204900    4.74347300
 H                  2.28925600    1.03291200    5.24037400
 H                  3.96258300    1.13521600    4.67564100
 H                  3.18831300    2.55389100    5.40053200
 C                  1.45938972    3.78856729   -5.02403367
 H                  1.46770215    4.84233219   -5.30548449
 H                  1.84428101    3.71257638   -4.00408967
 H                  2.09680699    3.21335206   -5.70517166
 H                  0.62818900    1.18895300   -5.42936100
 C                 -1.94504500    3.41231700   -3.42082900
 H                 -2.67291700    3.48195000   -4.23903000
 H                 -2.31996200    4.01603400   -2.59276200
 H                 -3.30500500    0.83666400   -6.85047400
 C                 -5.15661000    3.97438500   -8.25709100
 H                 -6.03212600    4.02360600   -8.91239300
 H                 -4.76325800    4.99085400   -8.20389000
 C                 -1.91422500    1.79518600   -8.75465900
 H                 -1.51717500    2.35484000   -9.60855800
 H                 -1.09886500    1.56661900   -8.06406000
 H                 -2.34903500    0.86070100   -9.11757000
 C                  2.60970500    7.60404400   -0.52712900
 C                 -3.06925900    1.37983200   -2.46170400
 C                 -3.79793600    0.45202900   -3.10655000
 C                 -3.53221800    1.94375100   -1.13772400
 H                 -4.74093200    0.09376600   -2.69363700
 H                 -3.48155500    0.01403900   -4.05026500
 H                 -2.77983700    1.75424500   -0.35929400
 H                 -3.65081200    3.03399800   -1.18502300
 H                 -4.48518000    1.50419700   -0.82099500
 H                 -1.05631300    1.99319800   -2.13360000
 Cl                -4.87053600    1.68171400   -9.89133300
 C                 -6.16524586    4.33247420   -5.71618465
 C                 -5.91281585    5.63211251   -5.50172013
 C                 -7.10762754    3.57995733   -4.80185418
 H                 -5.21615616    6.22306706   -6.08577551
 H                 -6.39010297    6.15368014   -4.67485295
 H                 -7.81347620    2.96223480   -5.37706310
 H                 -6.56109435    2.90369177   -4.12959181
 H                 -7.68029045    4.27101878   -4.17616254
 H                 -6.36777819    2.97652046   -7.40030800
   
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        
****

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        


