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

FCb-cis-solv

-1 1
 O                 -1.60970800    5.16498700   -6.83525000
 C                 -1.82101400    3.97665000   -6.89578800
 O                 -1.10742200    2.97232800   -6.38230800
 Al                 0.67631000    4.96209800   -1.68653400
 N                  0.74071400    5.91172900    0.36127900
 O                  2.09233900    6.05321100   -2.09337100
 O                  1.06277300    3.38023400   -0.81285000
 O                  0.57872300    4.18571200   -3.32712000
 O                 -1.03371400    5.64988700   -1.74572000
 C                  2.77850400    7.03004400   -1.51786700
 C                  4.04013400    7.38825700   -2.06921000
 C                  4.78448000    8.40505500   -1.46961400
 C                  4.33797300    9.09277800   -0.32719300
 C                  3.09866600    8.72465000    0.20618400
 H                  5.75221000    8.66811800   -1.90267900
 H                  2.72510600    9.23256100    1.09776700
 C                 -1.91592200    6.25108800   -0.95823700
 C                 -1.73499600    6.34086300    0.44057700
 C                 -2.67883500    7.01557800    1.22576400
 C                 -3.82425000    7.59231700    0.66824500
 C                 -3.99681300    7.48305200   -0.72291600
 C                 -3.07476000    6.83196100   -1.54440000
 C                  1.85499800    5.32411100    1.15725000
 H                 -2.51054500    7.08535800    2.30239100
 H                 -4.88044200    7.92900300   -1.18456000
 C                  1.34885400    2.96513000    0.41661500
 C                  1.67933000    3.86292600    1.46194900
 C                  1.90844900    3.38166000    2.75666200
 C                  1.86478300    2.01625200    3.05572900
 C                  1.59513300    1.13221700    1.99851300
 C                  1.34115300    1.56909500    0.69570600
 C                  0.96227900    7.37972000    0.19494000
 H                  2.14017900    4.09866100    3.54698600
 H                  1.58433500    0.05801900    2.19576900
 C                 -0.54750400    5.67230800    1.07549000
 H                 -0.68676300    4.58426200    1.10587600
 H                 -0.44468600    6.01123200    2.12157000
 H                  0.82951500    7.87714900    1.17158200
 H                  2.77183900    5.48358200    0.57795700
 H                  1.96473700    5.89256800    2.09778600
 H                  0.16339600    7.74132200   -0.46287800
 C                 -0.50795600    4.02965600   -4.18014400
 C                 -1.15250400    1.86231700   -3.03692700
 H                 -0.90227300    4.99913500   -4.51817600
 C                  0.03073400    3.25555100   -5.41902400
 C                  0.48950100    1.86017500   -4.98340400
 C                 -0.56626300    1.05724200   -4.20641600
 H                  1.35818800    2.03418400   -4.33878800
 H                 -0.10614400    0.13528400   -3.82283800
 H                 -1.36234900    0.74182300   -4.89201500
 O                 -2.91963800    3.55341100   -7.59623700
 C                 -4.82161200    2.56182600   -8.33124300
 C                 -3.48331200    2.18329000   -7.66727700
 H                 -4.65424900    2.93878400   -9.34084900
 C                 -5.36751900    3.47258200   -5.96223800
 C                 -3.73629400    1.54957300   -6.28760600
 C                 -5.00623400    2.03896600   -5.56247200
 H                 -2.85406800    1.73399500   -5.67969700
 H                 -5.84678700    1.37641500   -5.80140200
 H                 -4.84028900    1.97899100   -4.48068300
 C                  4.52432400    6.64010900   -3.28299300
 H                  4.61547400    5.56665800   -3.06861100
 H                  3.79939100    6.71890600   -4.10367900
 H                  5.49580900    7.02022700   -3.62286400
 C                  1.08636700    0.58796600   -0.42061300
 H                  0.01798600    0.49727400   -0.65541400
 H                  1.58000100    0.91807400   -1.34146600
 H                  1.45379900   -0.41018900   -0.15095600
 C                  5.16409600   10.20148900    0.28515400
 H                  6.21736100    9.90704300    0.39729800
 H                  5.14877200   11.11172700   -0.33440300
 H                  4.78625000   10.47480700    1.27841900
 C                 -3.26546900    6.72790900   -3.03576300
 H                 -2.36475600    7.04917900   -3.57229200
 H                 -3.44338100    5.68836900   -3.34102800
 H                 -4.11679900    7.33556400   -3.36599200
 C                 -4.84948100    8.30150500    1.52413000
 H                 -5.08297100    9.30163800    1.13129400
 H                 -5.79774200    7.74433300    1.56937900
 H                 -4.48954100    8.42322900    2.55337900
 C                  2.08182300    1.50761500    4.46295700
 H                  1.13234100    1.23169500    4.94790700
 H                  2.72050800    0.61340100    4.47453300
 H                  2.56074100    2.26933500    5.09127500
 C                  1.13597200    4.01005200   -6.14389300
 H                  0.77052600    4.97044700   -6.51432100
 H                  1.93451600    4.19472000   -5.41980900
 H                  1.52424300    3.41647900   -6.98251200
 H                  0.82790100    1.29865900   -5.86613600
 C                 -1.65610800    3.23530800   -3.52571500
 H                 -2.49934900    3.11510100   -4.21878700
 H                 -2.01315200    3.83334500   -2.68689600
 H                 -3.79316700    0.46515900   -6.43166100
 C                 -5.65326000    3.54002500   -7.49168600
 H                 -6.71555900    3.35059000   -7.68030100
 H                 -5.42830100    4.54701000   -7.85945700
 C                 -2.57564000    1.33131800   -8.54851600
 H                 -2.36521900    1.85618000   -9.48813800
 H                 -1.63209100    1.14846700   -8.02720400
 H                 -3.05562700    0.37484600   -8.77576300
 C                  2.31233300    7.72023000   -0.37321300
 C                 -2.20842900    1.15504400   -2.21653800
 C                 -2.78401900   -0.00603500   -2.57146000
 C                 -2.58800500    1.85146700   -0.92708300
 H                 -3.53805800   -0.47641700   -1.94045000
 H                 -2.52688800   -0.52068400   -3.49391300
 H                 -1.68945200    2.13137000   -0.36146700
 H                 -3.13189800    2.78502300   -1.12350600
 H                 -3.22012200    1.21483900   -0.29720800
 H                 -0.32326400    2.09772100   -2.35605100
 Cl                -5.80498300    0.96712500   -8.65915300
 C                 -6.50979700    4.09942900   -5.18389900
 C                 -7.32184900    3.40709900   -4.37289900
 C                 -6.66971900    5.58959600   -5.37342100
 H                 -7.21161900    2.33764000   -4.21410700
 H                 -8.12454300    3.90335500   -3.82860400
 H                 -5.73737600    6.11128600   -5.11642900
 H                 -6.89233000    5.83819700   -6.42112200
 H                 -7.47586400    5.99069600   -4.74911800
 H                 -4.48640200    4.10265700   -5.77598300
   
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        


