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

FCa-cis-solv

-1 1
 O                 -1.98113400    5.79782300   -6.19354100
 C                 -2.10078600    6.61410000   -5.30920800
 O                 -1.65010500    6.53179700   -4.05543700
 Al                 1.29096900    4.14228100   -0.28770300
 N                  2.75755100    3.52282200    1.29820900
 O                  2.18248100    5.75812800   -0.31521300
 O                  1.90864600    2.65841300   -1.19036700
 O                  0.18004600    4.48060700   -1.67452500
 O                  0.01141100    4.01022000    1.04090600
 C                  3.20897800    6.31815700    0.31540300
 C                  3.81891500    7.46525900   -0.26334200
 C                  4.91477300    8.05542200    0.36727200
 C                  5.45180400    7.55551600    1.56632500
 C                  4.83736000    6.43218100    2.12771500
 H                  5.37195100    8.93286100   -0.09555300
 H                  5.22462400    6.01728200    3.06043600
 C                 -0.02918000    3.63604100    2.31684200
 C                  0.97361600    2.82158600    2.89852800
 C                  0.88878500    2.45007400    4.24583200
 C                 -0.17425600    2.85640400    5.05810500
 C                 -1.14252600    3.69380700    4.48052700
 C                 -1.08943000    4.09975900    3.14490600
 C                  4.03541400    3.07613900    0.66612600
 H                  1.68381700    1.83198000    4.66801300
 H                 -1.96537200    4.05818800    5.09938500
 C                  2.82515600    1.71331500   -1.05910900
 C                  3.89855500    1.82002400   -0.14501300
 C                  4.82328900    0.77549600   -0.02298200
 C                  4.73528300   -0.38079100   -0.80526300
 C                  3.66911700   -0.46938600   -1.71847300
 C                  2.71728600    0.54168300   -1.85905900
 C                  3.04161900    4.66647100    2.21284700
 H                  5.63393300    0.87434000    0.70211600
 H                  3.57359300   -1.36530100   -2.33615700
 C                  2.14912500    2.39297600    2.06719300
 H                  1.86072500    1.63366900    1.33144400
 H                  2.92027600    1.94084500    2.71391200
 H                  3.65335000    4.30804900    3.05913200
 H                  4.37699500    3.90881200    0.03855800
 H                  4.79384200    2.93374800    1.45578000
 H                  2.07963600    4.98805400    2.62643400
 C                 -0.60381100    5.53685200   -2.08660000
 C                 -2.74871800    4.33831200   -1.44003200
 H                 -0.07299500    6.50912500   -2.00443500
 C                 -0.88760500    5.28905600   -3.60556900
 C                 -1.76925300    4.04813800   -3.76390200
 C                 -3.05855500    4.11595800   -2.93806800
 H                 -1.15210800    3.21972800   -3.39539400
 H                 -3.62223200    3.18067400   -3.05828600
 H                 -3.70491200    4.92184800   -3.31716000
 O                 -2.87719800    7.71822000   -5.56457700
 C                 -2.89861300    9.10160000   -5.07778700
 C                 -2.93767900    9.27271800   -3.54448800
 H                 -3.88218800    9.40767600   -5.44583900
 C                 -0.45340600   10.03281200   -5.12050500
 C                 -1.56352500    9.33934900   -2.90015300
 C                 -0.60509900   10.30669600   -3.60242200
 H                 -1.16428700    8.32064200   -2.94457400
 H                 -0.98624300   11.32750100   -3.47911000
 H                  0.36915300   10.27227900   -3.10426200
 C                  3.24865700    7.99825200   -1.54869700
 H                  3.25814300    7.22703800   -2.32941000
 H                  2.19452600    8.27804200   -1.41584000
 H                  3.80563900    8.87374500   -1.90387200
 C                  1.56509700    0.44148900   -2.82348000
 H                  0.60620700    0.53036300   -2.29554600
 H                  1.58453300    1.27038100   -3.54343400
 H                  1.58627700   -0.50892900   -3.37100400
 C                  6.65046500    8.21077500    2.21473000
 H                  7.53141500    8.19057900    1.55574300
 H                  6.45511100    9.26591700    2.45739700
 H                  6.92276200    7.70133600    3.14742900
 C                 -2.11136800    5.04298100    2.57014400
 H                 -1.62485000    5.93708000    2.15679400
 H                 -2.66301000    4.57945100    1.74503100
 H                 -2.82930300    5.35792700    3.33775700
 C                 -0.28482500    2.40971700    6.49808500
 H                 -0.65332100    3.21906600    7.14333900
 H                 -0.98189900    1.56439300    6.61070900
 H                  0.68758000    2.08429200    6.88961800
 C                  5.75512000   -1.49154300   -0.69095500
 H                  5.27389100   -2.47788000   -0.62627100
 H                  6.42895200   -1.51887400   -1.56151700
 H                  6.37926400   -1.36526900    0.20266700
 C                  0.41953400    5.18497000   -4.37591000
 H                  0.98595300    6.11618000   -4.28438400
 H                  1.00002000    4.38429800   -3.90947900
 H                  0.24386900    4.96698900   -5.43196200
 H                 -1.98376400    3.87382800   -4.82159300
 C                 -1.90748500    5.61784500   -1.26493600
 H                 -2.48045900    6.50481000   -1.55333100
 H                 -1.62257600    5.72740700   -0.21406600
 H                 -1.67234900    9.60158400   -1.84132600
 C                 -1.85050700    9.98956800   -5.76600800
 H                 -2.26167100   11.00563700   -5.72937200
 H                 -1.80323300    9.71056300   -6.82308700
 C                 -3.93749400    8.36062200   -2.87010300
 H                 -4.92798200    8.46644300   -3.32386400
 H                 -3.60391400    7.32793100   -2.98816300
 H                 -4.00797600    8.58849200   -1.80265300
 Cl                -3.72478000   11.07283100   -3.33283500
 C                  3.72563200    5.81938900    1.53483000
 C                 -4.01384300    4.30432600   -0.60666300
 C                 -4.31472600    3.23315200    0.14363000
 C                 -4.93284200    5.50043400   -0.65894300
 H                 -5.23070600    3.18503300    0.73306500
 H                 -3.63772100    2.38259200    0.20720700
 H                 -4.44034700    6.38603800   -0.23415600
 H                 -5.20199700    5.75713700   -1.69251900
 H                 -5.85642700    5.31968500   -0.09688100
 H                 -2.11036500    3.50850700   -1.11295700
 C                  0.47940800    8.88048200   -5.48465100
 C                  0.27321300    8.05668800   -6.52114000
 C                  1.74393700    8.77624900   -4.66963800
 H                 -0.62892700    8.06833000   -7.12226500
 H                  1.00303000    7.29027800   -6.77173500
 H                  2.23960500    9.75329300   -4.56795100
 H                  1.53235900    8.42317500   -3.65409300
 H                  2.45240200    8.07554100   -5.12231500
 H                  0.05003900   10.92721300   -5.52950000
   
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        


