%chk=LO-RCb-cis-solv.chk
%nprocshared=12
%mem=22GB
#p scrf=(solvent=1-Hexanol) b97d3/gen pseudo=read nosymm

LO-RCb-cis-solv

-1 1
 N                  1.48459300   12.01580600    0.21338000
 O                  3.67777300   10.29165800   -0.22508600
 O                  0.71042600    9.32736400   -0.20544300
 O                  1.73800100   11.26506300   -2.48734100
 C                  2.67244900   12.92107100    0.34483100
 H                  2.97151800   13.18596400   -0.67668900
 H                  2.35292600   13.85143400    0.84183400
 C                  3.81830600   12.29981100    1.09339900
 C                  4.27048800   11.01134900    0.72903400
 C                  5.38710800   10.45233400    1.40369700
 C                  6.00623400   11.18908400    2.41520500
 H                  6.86123700   10.74767700    2.93101000
 C                  5.56252400   12.46684900    2.79902600
 C                  4.45916500   12.99880700    2.12536600
 H                  4.08445900   13.98630500    2.40091000
 C                  1.04758800   11.55323500    1.57137000
 H                  1.88902800   10.98741300    1.98924300
 H                  0.89712900   12.43635300    2.21310100
 C                 -0.19888900   10.71502200    1.53797700
 C                 -0.27608500    9.62045000    0.64834600
 C                 -1.43985200    8.80831300    0.64826800
 C                 -2.48025400    9.11641400    1.52663700
 H                 -3.37325100    8.48873000    1.51300900
 C                 -2.42453200   10.20682100    2.41274400
 C                 -1.27231800   10.99721100    2.39429400
 H                 -1.19686500   11.85676200    3.06276400
 C                  0.36117700   12.75205400   -0.45339000
 H                 -0.45936600   12.03180600   -0.55930800
 H                  0.01011400   13.54689800    0.22473500
 C                  0.73085000   13.33459100   -1.78873700
 C                  1.37264100   12.52169400   -2.74872700
 C                  1.65087800   13.05228400   -4.03479500
 C                  1.29599100   14.37292900   -4.31406200
 H                  1.51688600   14.77237200   -5.30566200
 C                  0.67381900   15.20353300   -3.36508900
 C                  0.40494700   14.66085500   -2.10538000
 H                 -0.07894700   15.27780700   -1.34599500
 Al                 2.02686400   10.31165900   -0.96990700
 C                  2.00218800    8.23654800   -3.04813900
 O                  2.56779000    8.78759200   -2.09426900
 O                  2.65596800    7.38222200   -3.81851600
 O                  0.74534000    8.42877700   -3.38010100
 C                  0.38218300    7.54995200   -4.55614300
 C                  1.75611700    6.90468800   -4.90243800
 C                 -0.62396900    6.51517400   -4.07004700
 C                  1.73874800    5.39634600   -4.96351800
 C                  0.00526000    5.53684400   -3.07226100
 H                 -1.47787500    7.04106100   -3.62435000
 H                 -0.97779800    5.99860200   -4.97754900
 C                  1.19648400    4.72761400   -3.67644900
 H                  1.09977500    5.16762700   -5.83568400
 H                  2.74662100    5.02215900   -5.18050700
 H                  0.36202800    6.09268100   -2.19579800
 H                  2.00480300    4.72903400   -2.93390200
 Cl                -0.64188000    5.47561500   -7.45137800
 C                  0.30330300   16.62872700   -3.70813100
 H                  1.16674800   17.18844400   -4.09498400
 H                 -0.47867200   16.66799900   -4.48083300
 H                 -0.07401500   17.16308800   -2.82774500
 C                  2.32250900   12.16450200   -5.04875600
 H                  3.29529200   11.81339500   -4.67935300
 H                  1.72231700   11.26385800   -5.23046600
 H                  2.47133000   12.68892700   -5.99976700
 C                 -1.51178000    7.65020500   -0.31010700
 H                 -1.32390600    7.98428600   -1.33675200
 H                 -0.73348800    6.90843200   -0.08738700
 H                 -2.48894400    7.15568900   -0.26596700
 C                 -3.57672800   10.50823200    3.34409600
 H                 -4.51575200   10.65385700    2.79101600
 H                 -3.74658100    9.68717100    4.05599500
 H                 -3.38767900   11.41835500    3.92632200
 C                  6.26994700   13.23924300    3.88943000
 H                  6.46781500   12.60806100    4.76675600
 H                  7.24053400   13.62830900    3.54594200
 H                  5.67142000   14.09654500    4.22158600
 C                  5.85169400    9.07579900    1.00817200
 H                  5.05674700    8.33485100    1.16644800
 H                  6.08827300    9.03675600   -0.06271800
 H                  6.73626500    8.77577200    1.58265400
 H                  2.16200800    7.32810700   -5.82611300
 C                 -0.15370400    8.44122900   -5.65529500
 H                 -1.07472600    8.93711200   -5.32801400
 H                  0.58516500    9.20385400   -5.93074000
 H                 -0.37409200    7.79348500   -6.51938500
 H                 -0.76127800    4.85075100   -2.69465300
 C                  0.85186500    3.27372400   -3.95995600
 C                  1.64071300    2.29276200   -3.49220400
 H                  2.52483300    2.51044700   -2.89254800
 H                  1.43095000    1.24405600   -3.70300700
 C                 -0.37070800    2.99057200   -4.79460600
 H                 -1.28315300    3.31196400   -4.27074000
 H                 -0.36707200    3.54571200   -5.74663300
 H                 -0.46232700    1.91737300   -5.00049300
   
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        


