%chk=Int3a-cis-solv.chk
%nprocshared=8
%mem=22GB
#p scrf=(solvent=1-Hexanol) b97d3/gen pseudo=read nosymm

Int3a-cis-solv

-1 1
 Al                -5.69006200    7.38962100   -3.41244200
 N                 -7.67340700    7.90790400   -2.88529800
 O                 -5.10321700    8.16472500   -1.86939800
 O                 -6.16353400    5.64032800   -3.45137500
 O                 -3.81285300    6.85906900   -3.73877500
 O                 -5.84324500    8.31152300   -4.97937100
 C                 -5.67777700    8.89188300   -0.90228900
 C                 -5.00134200    9.05773300    0.33439700
 C                 -5.60482300    9.81833200    1.34001700
 C                 -6.86916100   10.40943200    1.19012200
 C                 -7.53307900   10.21025600   -0.02379800
 C                 -6.95463500    9.47730900   -1.06760400
 H                 -5.07112200    9.94054200    2.28408400
 H                 -8.52720500   10.63614000   -0.17126900
 C                 -6.86338500    8.94133200   -5.57798400
 C                 -8.20928400    8.77226200   -5.17650500
 C                 -9.22906600    9.48772500   -5.81853900
 C                 -8.96748700   10.35888800   -6.87901100
 C                 -7.62844600   10.51049000   -7.27321400
 C                 -6.58109500    9.83129800   -6.64764000
 C                 -8.14393800    6.95894200   -1.82331400
 H                -10.25652300    9.34924800   -5.47767000
 H                 -7.38920500   11.19186300   -8.09180500
 C                 -7.26689800    4.96242200   -3.10451700
 C                 -8.28671300    5.54632500   -2.31715400
 C                 -9.42575100    4.80502600   -1.97865700
 C                 -9.58767400    3.47900400   -2.38911300
 C                 -8.57378700    2.91980000   -3.18231600
 C                 -7.42619700    3.62629300   -3.55233600
 C                 -7.69094100    9.31338600   -2.36782700
 H                -10.20164500    5.28238400   -1.37770200
 H                 -8.68140600    1.89157300   -3.53212400
 C                 -8.55763600    7.79875500   -4.08681900
 H                 -8.46897600    6.76774600   -4.44734800
 H                 -9.60299000    7.94183400   -3.76928700
 H                 -8.73886700    9.63245500   -2.25032700
 H                 -7.41730700    7.01744800   -1.00531500
 H                 -9.10586000    7.32146200   -1.42812300
 H                 -7.24909700    9.93859000   -3.15362900
 C                 -2.76859800    7.53843300   -3.68456900
 O                 -1.57801900    7.08624500   -3.46222200
 Al                 0.98097800    4.06888100   -0.02074000
 N                  2.47038200    3.53523500    1.55414400
 O                  1.67108800    5.78108200    0.07317400
 O                  1.81298400    2.78857400   -1.04695300
 O                 -0.16253900    4.43314700   -1.38402500
 O                 -0.30873600    3.61710100    1.21770900
 C                  2.61638400    6.41090300    0.76238000
 C                  3.14783800    7.62282500    0.24493300
 C                  4.15165100    8.29019400    0.94925700
 C                  4.67320400    7.80238100    2.15923300
 C                  4.14989500    6.60076600    2.64876400
 H                  4.54873000    9.21954100    0.53538200
 H                  4.53998300    6.18334900    3.57914900
 C                 -0.34942100    3.11011900    2.44734500
 C                  0.76157300    2.45722800    3.03291700
 C                  0.68269000    1.96835000    4.34332300
 C                 -0.48453800    2.08285600    5.10366300
 C                 -1.58280600    2.72641000    4.50872100
 C                 -1.54227400    3.24211000    3.21154200
 C                  3.81141200    3.31138600    0.93287100
 H                  1.56147600    1.48469500    4.77476300
 H                 -2.50573100    2.83823200    5.08168200
 C                  2.83669900    1.95375900   -0.94466100
 C                  3.85595600    2.11768200    0.02193500
 C                  4.89872700    1.18615300    0.10533800
 C                  4.98252200    0.09359900   -0.76365000
 C                  3.96871900   -0.05022500   -1.72798300
 C                  2.90468800    0.84642800   -1.83479100
 C                  2.56296800    4.64211300    2.55317200
 H                  5.66477300    1.32460600    0.87099000
 H                  4.00607800   -0.89903800   -2.41446900
 C                  2.02024100    2.28188100    2.23288700
 H                  1.87942500    1.53378600    1.44387600
 H                  2.83221500    1.91583100    2.88414900
 H                  3.17561100    4.30526300    3.40708800
 H                  4.05698200    4.22785100    0.38288000
 H                  4.56279700    3.20312100    1.73419800
 H                  1.54788700    4.80913000    2.93112600
 C                 -0.99478500    5.50938400   -1.61432700
 C                 -2.96899400    3.96574900   -1.45769900
 H                 -0.55808300    6.45982900   -1.24725000
 C                 -1.09837600    5.61803100   -3.16255600
 C                 -1.97184900    4.51950300   -3.77399600
 C                 -3.19895600    4.03380300   -2.98366600
 H                 -1.27192600    3.67815600   -3.85657200
 H                 -3.44792700    3.02666400   -3.34282900
 H                 -4.06238600    4.66341400   -3.19129600
 O                 -2.91277400    8.85248800   -3.85132800
 C                 -1.98043200    9.97808200   -4.09063000
 C                 -0.72264500   10.03084800   -3.19731700
 H                 -2.63200100   10.79012300   -3.76233100
 C                 -0.46114100    9.47876700   -6.18327900
 C                  0.49886200    9.36455100   -3.80394800
 C                  0.75866500    9.73799500   -5.26497700
 H                  0.31600900    8.29035500   -3.72637700
 H                  1.00368000   10.80559000   -5.31831700
 H                  1.63959400    9.19588800   -5.62375800
 C                 -6.35849000    2.98325800   -4.39690600
 H                 -5.89304400    3.71515900   -5.06511800
 H                 -5.56082800    2.58010000   -3.76078500
 H                 -6.77308200    2.15852700   -4.98943700
 C                -10.79806700    2.66832000   -1.98568500
 H                -11.18278900    2.07506400   -2.82617100
 H                -10.55800100    1.96394200   -1.17515100
 H                -11.60993200    3.31457300   -1.62969000
 C                -10.07756300   11.10127400   -7.58721000
 H                 -9.82938800   12.16293200   -7.72261400
 H                -10.26920400   10.68398300   -8.58722700
 H                -11.01592600   11.04535300   -7.02214400
 C                 -7.47771600   11.24062400    2.29632200
 H                 -7.29762300   10.79046100    3.28144400
 H                 -7.05127800   12.25496600    2.32063200
 H                 -8.56214700   11.34364500    2.16600700
 C                 -3.67479300    8.38257600    0.56092600
 H                 -3.81205200    7.33028000    0.84182200
 H                 -3.07578400    8.37925300   -0.35146400
 H                 -3.11051700    8.87413400    1.36183800
 C                 -5.15037800   10.04393800   -7.05727900
 H                 -4.59209600   10.52616000   -6.24478000
 H                 -4.65007800    9.08865100   -7.25674600
 H                 -5.08042200   10.67648200   -7.94983800
 C                  2.61392900    8.13311700   -1.06591800
 H                  2.84655900    7.43689900   -1.88418900
 H                  1.52116500    8.20475100   -1.03513100
 H                  3.03261800    9.11718900   -1.31020800
 C                  1.80951900    0.68393700   -2.85582200
 H                  0.82763100    0.62287700   -2.36822000
 H                  1.75869500    1.55940500   -3.51731200
 H                  1.96467400   -0.21500200   -3.46509600
 C                  5.74361900    8.56199900    2.90980000
 H                  6.50239300    8.96886200    2.22720400
 H                  5.32353100    9.41237200    3.46919900
 H                  6.25572600    7.91562500    3.63365700
 C                 -2.72672800    3.94297000    2.60302500
 H                 -2.47993800    4.98426700    2.35389400
 H                 -3.03066800    3.46225700    1.66607000
 H                 -3.58090800    3.94424900    3.29112500
 C                 -0.57460500    1.52206500    6.50487300
 H                 -1.06545600    2.22681100    7.19057300
 H                 -1.15559500    0.58711600    6.53336000
 H                  0.42157100    1.30092600    6.90856300
 C                  6.11912000   -0.90016400   -0.67760700
 H                  5.74959500   -1.93214900   -0.58847200
 H                  6.76079800   -0.86473400   -1.57124500
 H                  6.75518300   -0.69809800    0.19312500
 C                  0.28113800    5.63004000   -3.80510800
 H                  0.90426700    6.42463200   -3.38365500
 H                  0.76275800    4.68134800   -3.56087000
 H                  0.19808700    5.75323800   -4.88907300
 H                 -2.25078000    4.79860100   -4.79819900
 C                 -2.38059000    5.30014900   -0.97794500
 H                 -3.05181800    6.13143900   -1.22608400
 H                 -2.24102600    5.28602400    0.10662100
 H                  1.37177000    9.59167500   -3.18494300
 C                 -1.69748300   10.17551000   -5.58634300
 H                 -1.54548000   11.25569000   -5.69940400
 H                 -2.60154000    9.92975000   -6.14467500
 C                 -0.97939800    9.68834000   -1.74542000
 H                 -1.87074300   10.20003600   -1.37180400
 H                 -1.12125700    8.60773400   -1.64937600
 H                 -0.12025700    9.97392500   -1.13286100
 Cl                -0.33624500   11.95771100   -3.18642600
 C                  3.13089500    5.90985000    1.98177300
 C                 -4.26082000    3.55480800   -0.76940500
 C                 -4.54586500    2.25713000   -0.57854500
 C                 -5.21693600    4.63759100   -0.33869000
 H                 -5.48852400    1.93811200   -0.13455400
 H                 -3.83836200    1.47765600   -0.86028500
 H                 -4.81438800    5.17812700    0.52939800
 H                 -5.36118100    5.37658300   -1.13159700
 H                 -6.19426700    4.22418300   -0.06661200
 H                 -2.21117800    3.20207800   -1.24948200
 C                 -0.64940600    8.03064500   -6.62091600
 C                 -1.83261400    7.40098700   -6.65522200
 C                  0.59108500    7.35314700   -7.15601300
 H                 -2.75852700    7.84114700   -6.29874000
 H                 -1.90898600    6.38664700   -7.04289600
 H                  1.09643300    7.98884300   -7.89868500
 H                  1.32115800    7.15488600   -6.36037300
 H                  0.34666200    6.39651100   -7.62916500
 H                 -0.24095800   10.01381500   -7.12427400
   
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        


