%chk=LO-int3a-trans-trans-solv.chk
%nprocshared=8
%mem=22GB
#p scrf=(solvent=1-Hexanol) b97d3/gen pseudo=read nosymm

LO-int3a-trans-trans-solv

-1 1
 Al                -5.02933300    7.69526200   -0.62114900
 N                 -6.73044000    8.98264500   -0.59617700
 O                 -4.20417700    8.78245700    0.56832000
 O                 -5.86338200    6.30820400    0.17537000
 O                 -2.94314100    7.01073700   -0.78025000
 O                 -5.10700000    7.53555500   -2.41934200
 C                 -4.58545500    9.83425200    1.30371400
 C                 -3.92068400   10.09172100    2.52735300
 C                 -4.31843500   11.19873300    3.28182400
 C                 -5.34233100   12.06936000    2.86968300
 C                 -5.98779300   11.78900800    1.66200200
 C                 -5.62042300   10.68919100    0.87553300
 H                 -3.80132100   11.39651200    4.22195600
 H                 -6.79011500   12.44074700    1.31357600
 C                 -5.50625700    8.45549500   -3.31163800
 C                 -6.67916300    9.20699900   -3.08129600
 C                 -7.05752700   10.21316300   -3.97871700
 C                 -6.30474600   10.48094500   -5.12711200
 C                 -5.17035700    9.68617100   -5.36594900
 C                 -4.76014300    8.67030600   -4.49602000
 C                 -7.59200200    8.57363500    0.56491600
 H                 -7.95764800   10.79469000   -3.77276200
 H                 -4.57539600    9.86897200   -6.26210000
 C                 -7.18817700    6.09415800    0.29786200
 C                 -8.09978700    7.16280700    0.46055300
 C                 -9.47340700    6.90162900    0.56474800
 C                 -9.97816900    5.59947900    0.53743200
 C                 -9.05605000    4.55062000    0.38964900
 C                 -7.68055200    4.76506900    0.26659200
 C                 -6.29772800   10.41205100   -0.43495800
 H                -10.15893900    7.74301700    0.67829600
 H                 -9.42286700    3.52338900    0.35789600
 C                 -7.50469700    8.85919600   -1.87690700
 H                 -7.84290200    7.81830100   -1.93148800
 H                 -8.39678600    9.50211900   -1.81045300
 H                 -7.18096400   11.05963600   -0.55025200
 H                 -6.97731300    8.69819600    1.46377400
 H                 -8.43424000    9.27872700    0.64212300
 H                 -5.63204400   10.62414600   -1.28193200
 C                 -2.14034000    8.11619800   -0.86083300
 O                 -1.17184900    8.36558100   -0.18938100
 Al                 1.21390300    3.84790800    0.17847700
 N                  3.20737700    3.19487400    0.91661900
 O                  1.30912300    5.18475200    1.45160600
 O                  2.04225900    4.21705400   -1.43242000
 O                 -0.47825700    4.23306100   -0.37331900
 O                  0.65051800    2.15136600    0.61380800
 C                  2.15293800    5.55462800    2.41004300
 C                  2.09198900    6.88240000    2.91765700
 C                  2.98492100    7.27322600    3.91823200
 C                  3.95637600    6.40731700    4.44769100
 C                  4.01408500    5.11058400    3.92752700
 C                  3.13093300    4.67364000    2.93274400
 H                  2.92742800    8.29775600    4.29245800
 H                  4.76717600    4.41360400    4.30066500
 C                  1.16690300    1.03182500    1.09900000
 C                  2.55791600    0.78000800    1.10104600
 C                  3.05436900   -0.40736700    1.65404600
 C                  2.20577100   -1.37874500    2.19487100
 C                  0.82368800   -1.11812500    2.17878200
 C                  0.28933400    0.05769100    1.64999500
 C                  4.26576400    4.09640500    0.36842500
 H                  4.13364300   -0.57339100    1.65708600
 H                  0.13985700   -1.85701600    2.60238600
 C                  3.26637100    4.09064200   -1.94012200
 C                  4.41681900    3.99431700   -1.12156100
 C                  5.68186900    3.82711700   -1.69906200
 C                  5.85754700    3.77147900   -3.08474700
 C                  4.70880100    3.87797400   -3.88696700
 C                  3.42795500    4.03381400   -3.35238600
 C                  3.20890100    3.26729500    2.41011800
 H                  6.54937700    3.73991200   -1.04175000
 H                  4.81421500    3.82799500   -4.97290900
 C                  3.47943200    1.79037500    0.48018900
 H                  3.38474000    1.78155700   -0.61254100
 H                  4.52801200    1.53985100    0.71618900
 H                  4.11910500    2.77427400    2.79166300
 H                  3.98953000    5.11653500    0.65791600
 H                  5.22454700    3.86593100    0.86354400
 H                  2.35279300    2.67485200    2.75407800
 C                 -2.31990900    5.66233300   -0.23727500
 C                 -0.93852200    5.42502500   -0.91273100
 C                 -3.29998800    4.59765000   -0.70379500
 H                 -0.27216300    6.26254900   -0.65861100
 C                 -1.07042300    5.36223500   -2.44535800
 H                 -0.08235100    5.10684600   -2.83573500
 H                 -1.32206600    6.36359900   -2.82042800
 C                 -2.13734900    4.38277700   -3.01128200
 H                 -2.88532600    3.66697000   -0.30523200
 C                 -3.46422300    4.51654900   -2.22755500
 H                 -4.26612800    4.76502800   -0.22509000
 H                 -4.12648800    3.67469700   -2.47456700
 H                 -3.97625200    5.42170100   -2.57124600
 O                 -2.62699400    8.86004000   -1.87565600
 C                 -2.15211400   10.22242500   -2.12261900
 C                 -0.68487500   10.27723100   -2.65772500
 C                 -2.39440000   11.13436200   -0.91780900
 H                 -2.81452600   10.50946600   -2.94025200
 C                  0.25353100   10.96222900   -1.67659200
 C                 -1.74513200   12.50987100   -1.15965100
 H                 -1.98984300   10.67372100   -0.01307800
 H                 -3.47124600   11.24599200   -0.76749100
 C                 -0.19859700   12.36545400   -1.23208600
 H                  1.26304100   10.99679200   -2.10133000
 H                  0.29097500   10.28525000   -0.81229900
 H                  0.18560300   13.11976000   -1.92668200
 H                  0.24767000   12.57591800   -0.25249400
 C                 -6.72325900    3.61735000    0.08509200
 H                 -6.19720600    3.69248500   -0.87466100
 H                 -5.95060400    3.61801100    0.86355200
 H                 -7.25199500    2.65813000    0.11802500
 C                -11.45770200    5.32074200    0.67353300
 H                -11.81344500    4.64415900   -0.11554100
 H                -11.69126700    4.84464000    1.63725400
 H                -12.04298200    6.24607600    0.61138400
 C                 -6.68268100   11.59336700   -6.07860000
 H                 -5.95019400   12.41311000   -6.04746300
 H                 -6.72517800   11.23797500   -7.11727900
 H                 -7.66355700   12.01441200   -5.82725300
 C                 -5.70097800   13.28536700    3.69187000
 H                 -5.77816200   13.04047800    4.75951900
 H                 -4.93811000   14.07193200    3.59308000
 H                 -6.65879500   13.71350100    3.37280000
 C                 -2.80986800    9.17603700    2.96588800
 H                 -3.18297000    8.15740900    3.13056100
 H                 -2.04065000    9.09215900    2.19052500
 H                 -2.34554700    9.53322100    3.89174300
 C                 -3.57544000    7.79233500   -4.80184900
 H                 -3.02737400    7.55929800   -3.88759200
 H                 -3.90314600    6.83320300   -5.22810200
 H                 -2.90311900    8.27322400   -5.52151800
 C                  1.06693400    7.83157900    2.35838300
 H                  1.06681800    7.82020700    1.26351400
 H                  0.05288800    7.53755400    2.65863100
 H                  1.24287700    8.85641900    2.70871000
 C                  2.21065500    4.13565000   -4.23135000
 H                  1.42785000    3.43831100   -3.91103500
 H                  1.76466700    5.13864800   -4.17120600
 H                  2.46252100    3.93541300   -5.28019600
 C                  4.88956000    6.86086600    5.54738100
 H                  5.27243200    7.87357100    5.35910500
 H                  4.38573200    6.88348000    6.52635000
 H                  5.75186100    6.18832300    5.63927400
 C                 -1.18927500    0.34443400    1.64866400
 H                 -1.40365300    1.28593500    2.17181200
 H                 -1.56075800    0.48039400    0.62494900
 H                 -1.75112600   -0.46704800    2.12740800
 C                  2.74536900   -2.66918900    2.76965500
 H                  2.34053000   -2.86591600    3.77286200
 H                  2.48504100   -3.53557600    2.14229100
 H                  3.83910000   -2.63928700    2.85133700
 C                  7.22823800    3.61623800   -3.70381100
 H                  7.23261200    2.84487900   -4.48691000
 H                  7.57282000    4.55164900   -4.17125300
 H                  7.97354900    3.33190100   -2.95040600
 Cl                -0.78600700   11.44817400   -4.22627900
 C                 -2.25662100    5.77991700    1.27183100
 H                 -1.84667400    4.84293900    1.65699800
 H                 -1.59259900    6.59108100    1.56942300
 H                 -3.25860800    5.94482900    1.68392100
 C                 -0.13323700    8.97175100   -3.19778700
 H                  0.05813700    8.28371200   -2.36850900
 H                 -0.82564400    8.50046400   -3.89761500
 H                  0.81487300    9.16079600   -3.70943000
 H                 -2.34369900    4.73803900   -4.03101300
 C                 -1.64444000    2.94825300   -3.19399000
 C                 -1.15766200    2.57681600   -4.38984200
 H                 -1.10346300    3.27507200   -5.22555300
 H                 -0.77268200    1.57187900   -4.56128300
 C                 -1.71213600    1.97104300   -2.05064900
 H                 -1.16479500    2.36187900   -1.18625500
 H                 -2.75494200    1.80997300   -1.73673200
 H                 -1.29392500    0.99996200   -2.34101600
 H                 -2.08642100   12.86724100   -2.13862700
 C                 -2.17414800   13.53724300   -0.12943000
 C                 -2.68207300   14.71771200   -0.51297200
 H                 -2.98362000   15.47162900    0.21378200
 H                 -2.81378200   14.96270600   -1.56628000
 C                 -2.02057700   13.17149400    1.32464300
 H                 -2.22362000   14.03013700    1.97419800
 H                 -2.71607000   12.37016700    1.60066500
 H                 -1.01004300   12.80218000    1.54748700
   
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        


