%chk=Int3b-trans.chk
%nprocshared=8
%mem=30GB
#p freq=noraman b97d3/gen pseudo=read nosymm

Int3b-trans

-1 1
 Al                -1.56695500    7.60621800   -6.41291700
 N                 -0.59335100    9.34050800   -7.16079700
 O                 -0.44011500    6.53220100   -7.37490100
 O                 -1.29558300    8.17805800   -4.72763800
 O                 -2.28897400    5.96352900   -5.59361300
 O                 -3.14773600    8.06917600   -7.18017000
 C                  0.66697100    6.77306100   -8.08912300
 C                  1.63457900    5.74741100   -8.24878200
 C                  2.80796800    6.02398400   -8.95659600
 C                  3.07101400    7.27866300   -9.52781200
 C                  2.10002200    8.27281800   -9.37269200
 C                  0.90895100    8.03606600   -8.67641400
 H                  3.55193100    5.23095200   -9.05307800
 H                  2.26963100    9.26305200   -9.79884300
 C                 -3.53588900    9.11579600   -7.91994900
 C                 -2.75860300   10.29851800   -8.01819200
 C                 -3.16758100   11.33672600   -8.86266200
 C                 -4.35852900   11.26982000   -9.59473300
 C                 -5.14823200   10.12269200   -9.43593300
 C                 -4.77043800    9.05428000   -8.61573500
 C                  0.58803900    9.64672000   -6.27547000
 H                 -2.54326300   12.22908000   -8.93269800
 H                 -6.09843200   10.05387600   -9.96957500
 C                 -0.75887300    9.28062200   -4.19113800
 C                  0.18597900   10.05954400   -4.89060800
 C                  0.73826500   11.19507500   -4.28865600
 C                  0.38400800   11.57955400   -2.99277900
 C                 -0.59131400   10.81772500   -2.32943700
 C                 -1.17819500    9.68720700   -2.90231700
 C                 -0.13429100    9.10959500   -8.56444600
 H                  1.47582200   11.77739800   -4.84312700
 H                 -0.90159500   11.10816200   -1.32441200
 C                 -1.55492900   10.48634100   -7.13684700
 H                 -1.86531900   10.60679700   -6.09264300
 H                 -1.01488700   11.40410200   -7.42011200
 H                  0.25028300   10.05853700   -8.97155100
 H                  1.20443900    8.74155700   -6.24944100
 H                  1.18648100   10.43782600   -6.75360700
 H                 -1.02916500    8.84639400   -9.14281200
 C                 -2.63064500    4.82109900   -5.92116200
 O                 -2.72091100    3.80037600   -5.12206400
 Al                -0.28840900    5.69946500   -0.76029000
 N                  1.05465200    7.02255500    0.42286700
 O                  0.51585700    6.43595800   -2.24379700
 O                  0.54719800    4.28152700    0.04940400
 O                 -1.40506400    4.59261000   -1.69573000
 O                 -1.68254100    6.51486400    0.14117700
 C                  1.43211800    7.36678800   -2.50288400
 C                  2.11638600    7.34322200   -3.74548100
 C                  3.05998900    8.33368800   -4.02900400
 C                  3.37902200    9.35253800   -3.11939800
 C                  2.73755000    9.32862400   -1.87722900
 H                  3.56250000    8.30861300   -4.99830700
 H                  2.97914600   10.08735200   -1.13062000
 C                 -1.84544600    7.43413800    1.08615100
 C                 -0.77839700    7.86644300    1.90898000
 C                 -0.97590100    8.89248800    2.84110800
 C                 -2.22577700    9.49238400    3.02208600
 C                 -3.29140600    9.01200300    2.24237700
 C                 -3.13493400    8.00021300    1.29181100
 C                  2.42347900    6.42105400    0.45790100
 H                 -0.12762500    9.22037600    3.44538600
 H                 -4.28587600    9.44126700    2.38230700
 C                  1.52541500    4.11363400    0.92893000
 C                  2.47969000    5.12026700    1.21076000
 C                  3.47402800    4.88951900    2.17047000
 C                  3.57289500    3.67386800    2.85509700
 C                  2.62247000    2.68064400    2.55874900
 C                  1.60729700    2.87393700    1.62092500
 C                  1.09947500    8.37102600   -0.22442200
 H                  4.18989400    5.68603600    2.38360200
 H                  2.67128500    1.72505700    3.08574400
 C                  0.54698600    7.16725500    1.81777000
 H                  0.47457000    6.15432200    2.23143700
 H                  1.30021600    7.70737900    2.41744600
 H                  1.61147900    9.07617700    0.45194600
 H                  2.72922600    6.27875700   -0.58468800
 H                  3.12307700    7.14773100    0.90529900
 H                  0.06176000    8.71038900   -0.31569600
 C                 -2.16856800    4.89909900   -2.81989700
 C                 -4.55477600    3.95637500   -2.12482200
 H                 -1.77617900    5.78120900   -3.34126400
 C                 -1.99853400    3.65921600   -3.74261300
 C                 -2.73104300    2.46325300   -3.14342600
 C                 -4.23679900    2.71605100   -3.00438300
 H                 -2.27955900    2.30807800   -2.15666100
 H                 -4.72023500    1.82473500   -2.58201800
 H                 -4.66728100    2.86206600   -4.00412400
 O                 -3.00655500    4.60551200   -7.18573700
 C                 -3.27586500    3.71118300   -9.26577300
 C                 -3.18158000    3.24618100   -7.79451900
 H                 -2.34356700    4.20136200   -9.54805600
 C                 -5.79607700    4.16895500   -8.83007300
 C                 -4.49345900    2.60101900   -7.28824900
 C                 -5.68934100    2.74881400   -8.24060800
 H                 -4.72531100    3.04696000   -6.31736200
 H                 -5.60242400    2.01749700   -9.04872100
 H                 -6.61468300    2.52055100   -7.69597800
 C                 -2.24048000    8.89257200   -2.19919800
 H                 -3.16350000    8.86392300   -2.79466700
 H                 -1.92887500    7.85345200   -2.06922300
 H                 -2.46378900    9.31215100   -1.21324600
 C                  1.07127900   12.73477300   -2.30566400
 H                  0.40276000   13.23693700   -1.59454500
 H                  1.94982700   12.38610300   -1.74126600
 H                  1.42350200   13.48205600   -3.02877400
 C                 -4.76911300   12.38113600  -10.53373200
 H                 -4.47553500   12.16341200  -11.57221200
 H                 -5.85714000   12.52808400  -10.52880900
 H                 -4.29983800   13.33280300  -10.25439100
 C                  4.35466800    7.53595800  -10.28373100
 H                  5.23262200    7.22359700   -9.70172800
 H                  4.38265900    6.98232000  -11.23410900
 H                  4.46983000    8.60113400  -10.51792200
 C                  1.38982300    4.38190000   -7.66148000
 H                  2.33041200    3.90370200   -7.36384200
 H                  0.73490300    4.44652100   -6.79038500
 H                  0.90298700    3.72372400   -8.39681200
 C                 -5.67757900    7.86310000   -8.43866900
 H                 -5.90221300    7.37640300   -9.39580700
 H                 -5.21427100    7.13284600   -7.77120500
 H                 -6.63790600    8.16841600   -7.99906300
 C                  1.81321300    6.24498800   -4.72245400
 H                  2.03593500    5.26119900   -4.28782800
 H                  0.74847000    6.23906500   -4.97362300
 H                  2.39060100    6.36224100   -5.64528400
 C                  0.57643200    1.81985800    1.31363000
 H                 -0.43632600    2.19175100    1.51888700
 H                  0.58668500    1.56483900    0.24554700
 H                  0.75021600    0.91012500    1.90175600
 C                  4.33605700   10.46103300   -3.48514600
 H                  5.06685100   10.13036700   -4.23477800
 H                  3.79901900   11.32460800   -3.90820900
 H                  4.88988000   10.82265600   -2.60837700
 C                 -4.30370300    7.47966500    0.49766100
 H                 -4.21982600    7.75013500   -0.56251800
 H                 -4.34061400    6.38430700    0.53565200
 H                 -5.24784500    7.88671200    0.88076800
 C                 -2.42740500   10.62182100    4.00692800
 H                 -2.53773000   11.59193100    3.49789600
 H                 -3.33216500   10.47212100    4.61285800
 H                 -1.57528900   10.70646300    4.69304300
 C                  4.66498200    3.42520700    3.87116300
 H                  4.26017400    3.01710800    4.80841800
 H                  5.41012400    2.70379400    3.50155500
 H                  5.19827300    4.35282900    4.11390100
 C                 -0.54555500    3.38568800   -4.07765700
 H                 -0.10502100    4.24115700   -4.59414800
 H                 -0.01150700    3.25582900   -3.13345200
 H                 -0.43970400    2.48384600   -4.69240300
 H                 -2.54290900    1.56654100   -3.75089900
 C                 -3.65845100    5.16425500   -2.51164300
 H                 -4.09591300    5.63030300   -3.40735400
 H                 -3.68523800    5.91238300   -1.71687200
 H                 -4.30457300    1.53826400   -7.09794200
 C                 -4.47971100    4.59509300   -9.55121600
 H                 -4.61718300    4.65536800  -10.63483500
 H                 -4.20551000    5.60081900   -9.21822100
 C                 -1.94881400    2.38912600   -7.53432500
 H                 -1.03965200    2.95478500   -7.75433700
 H                 -1.92331600    2.06012300   -6.49575300
 H                 -1.98485800    1.51064600   -8.18350700
 C                  1.77734300    8.36318400   -1.56162200
 Cl                -3.30233900    2.19223400  -10.40943700
 C                 -4.61370900    3.55863100   -0.65317500
 C                 -3.57803200    3.62123500    0.19332500
 C                 -5.96766400    3.04856000   -0.21071500
 H                 -3.69397900    3.30118500    1.23017100
 H                 -2.61360300    3.99734700   -0.13443900
 H                 -6.72470700    3.84640400   -0.27515600
 H                 -6.32291000    2.23026900   -0.85678700
 H                 -5.94407200    2.68142400    0.82205900
 H                 -5.58338600    4.25629600   -2.38332000
 C                 -7.00426800    4.30824000   -9.73938300
 C                 -7.95621300    5.21859500   -9.48883700
 C                 -7.10227300    3.36380700  -10.91411800
 H                 -7.89277600    5.88383400   -8.63038900
 H                 -8.82600800    5.32631400  -10.13628200
 H                 -6.15817700    3.30278400  -11.47024800
 H                 -7.32375400    2.34199400  -10.57498200
 H                 -7.89648700    3.67073800  -11.60331500
 H                 -5.93936600    4.85597400   -7.98695700
   
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        


