%chk=LO-int3a-trans-cis.chk
%nprocshared=8
%mem=22GB
#p opt freq=noraman b97d3/gen pseudo=read nosymm

LO-int3a-trans-cis

-1 1
 Al                -4.87367700    7.93038100   -0.74227300
 N                 -6.64956600    9.19279800   -1.00592200
 O                 -4.14284600    9.32812500    0.15193200
 O                 -5.82820700    6.83232700    0.33536700
 O                 -2.94749700    7.12350000   -0.68680300
 O                 -4.92301900    7.59599700   -2.51676500
 C                 -4.44725600   10.58318400    0.42189000
 C                 -3.78191500   11.28327900    1.44786700
 C                 -4.06091700   12.60904300    1.74597500
 C                 -5.04271600   13.26047800    1.01423500
 C                 -5.74598800   12.61029400    0.01390900
 C                 -5.45085800   11.28035900   -0.28596600
 H                 -3.52431600   13.11258100    2.53746500
 H                 -6.52183000   13.13356100   -0.53127400
 C                 -5.60581600    8.02177300   -3.56363700
 C                 -6.89385700    8.58728600   -3.43561500
 C                 -7.59729900    9.04484200   -4.54946800
 C                 -7.03344500    8.93064400   -5.80852100
 C                 -5.77427800    8.37800500   -5.98455700
 C                 -5.07902300    7.93632500   -4.86785600
 C                 -7.40944400    9.24367800    0.27792400
 H                 -8.58267000    9.47887400   -4.43314200
 H                 -5.33143200    8.29449700   -6.96681200
 C                 -7.07247000    6.79121700    0.79372700
 C                 -7.93523900    7.91232300    0.74269900
 C                 -9.25165900    7.83741400    1.19829500
 C                 -9.72854700    6.65615600    1.73659600
 C                 -8.91583300    5.53955400    1.83289800
 C                 -7.61080100    5.61936000    1.36661900
 C                 -6.20059900   10.57031300   -1.38408400
 H                 -9.89507200    8.70658200    1.14229900
 H                 -9.28018600    4.61601900    2.25953000
 C                 -7.53016700    8.63021800   -2.07416600
 H                 -7.79834900    7.61876100   -1.75837600
 H                 -8.45909000    9.21388500   -2.11492400
 H                 -7.07510400   11.16590400   -1.67568300
 H                 -6.73736600    9.65064200    1.03510300
 H                 -8.24200600    9.95119200    0.17192000
 H                 -5.57316800   10.46652700   -2.27336200
 C                 -1.94156000    8.06689700   -0.86420400
 O                 -0.95921200    8.12005100   -0.19056800
 Al                 0.89716900    3.99299300    0.18464400
 N                  3.05508700    3.74573000    1.10714900
 O                  0.50262600    4.68766600    1.83773500
 O                  1.78316700    5.07601300   -1.01169000
 O                 -0.72379400    4.13772400   -0.56261900
 O                  0.99967000    2.17783300    0.02963600
 C                  1.03748700    4.92521700    3.00877700
 C                  0.41204600    5.78850400    3.93610700
 C                  0.94671500    6.07619000    5.18250200
 C                  2.15255900    5.48963300    5.53403100
 C                  2.81237800    4.63220700    4.67055000
 C                  2.26016500    4.34150000    3.42304800
 H                  0.43033800    6.74559100    5.85565300
 H                  3.75177400    4.18159000    4.96703600
 C                  1.79995500    1.16561300    0.22759900
 C                  3.19298700    1.32251100    0.43304700
 C                  4.01780100    0.21926300    0.65252800
 C                  3.47650400   -1.05501000    0.65680200
 C                  2.11997200   -1.26278100    0.45642100
 C                  1.30745700   -0.15893000    0.24987800
 C                  3.77920600    5.04269100    1.02253000
 H                  5.08018900    0.35761300    0.81324500
 H                  1.69740700   -2.25742100    0.46505300
 C                  2.97886800    5.50802800   -1.31655200
 C                  4.04559600    5.51075100   -0.38453900
 C                  5.31070600    5.97637300   -0.73964700
 C                  5.53525200    6.45655400   -2.01947200
 C                  4.52636500    6.47082900   -2.97062000
 C                  3.27542400    5.99575000   -2.60780100
 C                  2.93239400    3.33138800    2.53002300
 H                  6.11649900    5.96676500   -0.01567600
 H                  4.70434600    6.83385100   -3.97287200
 C                  3.79410800    2.70202400    0.34542400
 H                  3.81703900    3.02506800   -0.69846300
 H                  4.83763300    2.66553600    0.69276400
 H                  3.93104100    3.10081300    2.93064400
 H                  3.16909700    5.78234800    1.54716800
 H                  4.73271200    4.96727300    1.56656100
 H                  2.36272200    2.39880400    2.54121300
 C                 -2.35289200    5.75347800   -0.17974500
 C                 -1.34737700    5.19588300   -1.21474700
 C                 -3.48699400    4.79235600    0.08290100
 H                 -0.62627800    5.97600400   -1.48854800
 C                 -2.05017900    4.70270000   -2.48633500
 H                 -1.28360600    4.27944300   -3.14156000
 H                 -2.49964400    5.55371200   -3.00861500
 C                 -3.12875900    3.66408900   -2.16221400
 H                 -2.99976500    3.96641400    0.61009000
 C                 -4.15927500    4.24816200   -1.18807400
 H                 -4.21071200    5.22823000    0.76655200
 H                 -2.64924800    2.78936800   -1.71316000
 H                 -4.89424000    3.49144200   -0.90018900
 H                 -4.71936800    5.04418100   -1.69189000
 O                 -2.27149900    8.81977300   -1.90867400
 C                 -1.44088900    9.92910500   -2.42376800
 C                 -0.17624300    9.38106700   -3.10927600
 C                 -1.17428100   11.07244300   -1.43349000
 H                 -2.11919200   10.29107700   -3.19140600
 C                  1.08019600    9.32615400   -2.25341800
 C                  0.11049400   10.97571900   -0.59430700
 H                 -2.05071000   11.19206300   -0.79495700
 H                 -1.11884700   11.97562100   -2.05202500
 C                  1.32624700   10.61167300   -1.45676200
 H                  1.93727100    9.07155100   -2.87766100
 H                  0.93981700    8.49287200   -1.55712200
 H                 -0.01602500   10.23383900    0.19320100
 H                  1.55680900   11.43064000   -2.14815700
 H                  2.20739800   10.47683300   -0.82312500
 C                 -6.74098234    4.35682089    1.51156901
 H                 -6.49505019    3.97976192    0.54087652
 H                 -5.84185029    4.60159856    2.03744489
 H                 -7.28169232    3.61188381    2.05709763
 C                -11.18276871    6.57982940    2.23760845
 H                -11.68767695    5.77481704    1.74575199
 H                -11.18759342    6.41132958    3.29424677
 H                -11.68343613    7.50030952    2.02093248
 C                 -7.81432240    9.43277802   -7.03721621
 H                 -7.30860327   10.27487300   -7.46150880
 H                 -7.87641579    8.65042086   -7.76451374
 H                 -8.80050561    9.72192537   -6.73932952
 C                 -5.36804581   14.73103884    1.33550019
 H                 -5.76617796   14.80001990    2.32627383
 H                 -4.47511652   15.31675869    1.26834699
 H                 -6.08888372   15.09809083    0.63509634
 C                 -2.70905834   10.54825513    2.27268122
 H                 -3.17262481    9.78325025    2.85985552
 H                 -1.99242881   10.10613203    1.61247725
 H                 -2.21669531   11.24468496    2.91879587
 C                 -3.67742520    7.33501892   -5.08129124
 H                 -2.94433217    7.96984034   -4.62910060
 H                 -3.63376521    6.36430852   -4.63327883
 H                 -3.48034120    7.25311749   -6.12979020
 C                 -0.92892044    6.44517804    3.55902849
 H                 -0.79138271    7.06997411    2.70134951
 H                 -1.64778174    5.68497090    3.33492240
 H                 -1.27930695    7.03684947    4.37881762
 C                  2.16364136    5.99169022   -3.67341016
 H                  1.81295760    4.99135250   -3.81916801
 H                  1.35362818    6.60946598   -3.34610031
 H                  2.55186632    6.37143143   -4.59535268
 C                  2.76861883    5.80441525    6.90988798
 H                  2.94098407    6.85731874    6.99103271
 H                  2.09616976    5.49256950    7.68155143
 H                  3.69674408    5.28206974    7.01303196
 C                 -0.19996943   -0.39108478    0.03687635
 H                 -0.74977766    0.10344098    0.81021663
 H                 -0.49047525    0.00242471   -0.91478360
 H                 -0.40702267   -1.44042236    0.06720143
 C                  4.39380238   -2.26866848    0.89596047
 H                  4.02626560   -2.83551961    1.72571737
 H                  4.40616537   -2.88432842    0.02091191
 H                  5.38631963   -1.92941324    1.10742063
 C                  6.93443789    6.97392693   -2.40183845
 H                  7.39293970    6.29033924   -3.08549331
 H                  6.84537149    7.93479353   -2.86411818
 H                  7.53716371    7.05612126   -1.52157390
 Cl                 0.11401202   10.39587469   -4.51765002
 C                 -1.61605577    6.15397849    1.11187094
 H                 -1.50835441    5.29578262    1.74179177
 H                 -0.64870844    6.53942404    0.86575945
 H                 -2.17914708    6.90499857    1.62548269
 C                 -3.82533651    3.19902655   -3.45453621
 C                 -5.16363899    2.98621935   -3.46959034
 H                 -5.72549537    3.15261898   -4.36487162
 H                 -5.66014527    2.65064574   -2.58315260
 C                 -2.99827709    2.97502163   -4.73414338
 H                 -2.66484588    3.91850364   -5.11304354
 H                 -2.15101791    2.36175261   -4.50841567
 H                 -3.60432256    2.48916891   -5.47004827
 C                 -0.48257660    8.03761529   -3.79695124
 H                 -0.42374428    7.24733862   -3.07799259
 H                 -1.46719724    8.06713761   -4.21474381
 H                  0.23036966    7.86493281   -4.57591746
 C                  0.34044807   12.33422038    0.09358480
 C                  0.73705823   12.38480320    1.38846270
 H                  0.89257493   11.48112080    1.93989055
 H                  0.89522850   13.33167323    1.86102943
 C                  0.11894853   13.63972210   -0.69267421
 H                 -0.92239728   13.75195753   -0.91153977
 H                  0.45161670   14.47031380   -0.10586138
 H                  0.67372721   13.60396393   -1.60691814
   
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        


