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

LO-FCa-cis-cis-solv

-1 1
 O                 -2.83404100    7.25094900   -0.82346000
 C                 -2.19033000    8.26223900   -1.38274800
 O                 -1.12399900    8.75778500   -1.06808300
 Al                 1.20119100    4.24307500    1.07429800
 N                  3.21271300    3.24627200    1.29109100
 O                  1.30468500    4.55509200    2.87940400
 O                  2.05558200    5.33771800   -0.14304300
 O                 -0.40609400    5.07029500    0.89881600
 O                  0.60159000    2.58256200    0.53235100
 C                  2.15352100    4.32546500    3.87087300
 C                  2.04140100    5.10686600    5.05419200
 C                  2.93670400    4.89149800    6.10305700
 C                  3.95886600    3.92818700    6.03585100
 C                  4.05844600    3.17137200    4.86367900
 C                  3.17047000    3.34414800    3.79410200
 H                  2.84151800    5.50202000    7.00389200
 H                  4.84585400    2.41992900    4.77407700
 C                  1.09982500    1.36589300    0.34403000
 C                  2.48351800    1.14436400    0.14469800
 C                  2.96633700   -0.15528100   -0.04833200
 C                  2.11270900   -1.26339100   -0.06598400
 C                  0.74340900   -1.03058300    0.14422700
 C                  0.21998700    0.24794500    0.35304100
 C                  4.28736600    4.28285500    1.30157100
 H                  4.03974900   -0.30039000   -0.18633400
 H                  0.05755200   -1.88039400    0.15784800
 C                  3.27391000    5.54338500   -0.62581700
 C                  4.42958500    5.02323200    0.00226500
 C                  5.69181400    5.23224700   -0.56744200
 C                  5.85732700    5.97457200   -1.74113400
 C                  4.70205700    6.50127700   -2.34453800
 C                  3.42379200    6.30223800   -1.81938000
 C                  3.26110500    2.47654300    2.57065100
 H                  6.56662600    4.80513900   -0.07273700
 H                  4.80193600    7.08283300   -3.26371300
 C                  3.41927600    2.31997500    0.13679900
 H                  3.28453400    2.91851500   -0.77188000
 H                  4.46506000    1.96693600    0.13987700
 H                  4.19158000    1.88261900    2.59746900
 H                  4.04128400    4.97687200    2.11431700
 H                  5.24554600    3.80290900    1.56721300
 H                  2.42673900    1.76619000    2.54136300
 C                 -2.20853400    6.44874200    0.29291300
 C                 -0.86194200    5.82951700   -0.17394100
 C                 -3.22766600    5.33030600    0.52302500
 H                 -0.16557900    6.64426700   -0.41307000
 C                 -1.07021900    4.97387400   -1.44130400
 H                 -0.08779900    4.58385200   -1.72418300
 H                 -1.43528200    5.58601100   -2.27943500
 C                 -2.05898700    3.82364100   -1.16648400
 H                 -2.84834100    4.75718200    1.37618800
 C                 -3.39985700    4.40291900   -0.69096000
 H                 -4.19202600    5.77406400    0.80860300
 H                 -1.60813800    3.26531800   -0.33327900
 H                 -4.08702200    3.58780900   -0.42326900
 H                 -3.86945500    4.96545300   -1.51032000
 O                 -2.96248800    8.67705700   -2.43430900
 C                 -2.52811100    9.81452000   -3.23202600
 C                 -1.24450200    9.52009000   -4.07499600
 C                 -2.42827000   11.10014700   -2.39831400
 H                 -3.35748300    9.90385200   -3.93520800
 C                 -0.04605600   10.33305900   -3.61719100
 C                 -1.76442800   12.22801400   -3.20981000
 H                 -1.84785100   10.89762500   -1.49500400
 H                 -3.44007900   11.39184800   -2.09047800
 C                 -0.29221300   11.85281800   -3.54902900
 H                  0.81408500   10.10974900   -4.25830000
 H                  0.18213100    9.94337000   -2.61735600
 H                 -0.03632500   12.31891700   -4.50657000
 H                  0.38581800   12.27645400   -2.79768300
 C                  0.95664000    6.14938400    5.11888100
 H                  1.06659300    6.87900900    4.30543000
 H                 -0.03135700    5.69233500    4.97537500
 H                  0.97117200    6.67873100    6.07976600
 C                  2.19210300    6.86134000   -2.48145500
 H                  1.50920300    6.05718800   -2.78529400
 H                  1.62276200    7.49281000   -1.78776600
 H                  2.45284000    7.45284200   -3.36758500
 C                  4.90007100    3.70955900    7.19897300
 H                  5.25096900    4.66249700    7.61939000
 H                  4.41579200    3.15494700    8.01801200
 H                  5.78274300    3.13453400    6.89167600
 C                 -1.25010300    0.46976100    0.60130200
 H                 -1.39977900    1.18517900    1.41851300
 H                 -1.74944500    0.89609600   -0.27900700
 H                 -1.75098200   -0.47419800    0.84970900
 C                  2.63687200   -2.65981900   -0.31363100
 H                  2.16277300   -3.39236500    0.35426600
 H                  2.44259700   -2.99096900   -1.34575300
 H                  3.72111600   -2.71157000   -0.15224100
 C                  7.22661200    6.22461600   -2.33198200
 H                  7.23207600    6.06714300   -3.41971200
 H                  7.56523200    7.25723600   -2.15416500
 H                  7.97616200    5.55407900   -1.89309300
 Cl                -1.67698300   10.17610600   -5.87974900
 C                 -2.04127600    7.33415200    1.52031500
 H                 -1.60551300    6.71934900    2.31258200
 H                 -1.35985000    8.16319200    1.31105000
 H                 -3.01196300    7.73042100    1.84726100
 C                 -2.15298400    2.86378800   -2.33522000
 C                 -3.30575300    2.52733800   -2.93809800
 H                 -3.31854600    1.81333200   -3.76198900
 H                 -4.26376300    2.94624400   -2.64052400
 C                 -0.84189500    2.26631000   -2.79942100
 H                 -0.24659800    3.00813500   -3.35011000
 H                 -0.23039600    1.94456000   -1.94911700
 H                 -1.00795200    1.40861600   -3.46180900
 C                 -0.94170000    8.04707800   -4.27073200
 H                 -0.58483900    7.62420500   -3.32686200
 H                 -1.82809400    7.49425700   -4.59202300
 H                 -0.15056500    7.92770800   -5.01649500
 H                 -2.30515500   12.31697100   -4.15963500
 C                 -1.84668000   13.57303800   -2.51323400
 C                 -2.27757200   14.66103500   -3.16845300
 H                 -2.31832500   15.63859900   -2.68842600
 H                 -2.59990700   14.60494400   -4.20747100
 C                 -1.41695300   13.63997500   -1.06743300
 H                 -1.39991900   14.67371500   -0.70513200
 H                 -2.10055300   13.06480400   -0.42778000
 H                 -0.41829900   13.20658000   -0.91974600
   
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        


