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

LO-FCb-trans-cis-solv

-1 1
 O                 -0.57526200    8.00284800   -2.42583200
 C                 -0.86760200    9.08380100   -1.72368900
 O                 -0.88120100    9.19543000   -0.51158200
 Al                 1.77722900    4.09326600   -0.54432000
 N                  3.09410000    3.27921900    1.09447800
 O                  2.04351600    5.74601400    0.26233100
 O                  3.08687500    3.48192300   -1.68672600
 O                  0.64132300    4.62426100   -1.85605600
 O                  0.50118300    2.95767200    0.14503400
 C                  2.65945200    6.22903000    1.34070200
 C                  2.96438000    7.61735600    1.41196900
 C                  3.62423100    8.11523400    2.53864000
 C                  4.01035100    7.30066300    3.61505900
 C                  3.71349800    5.93757800    3.52563700
 C                  3.04251500    5.39816200    2.42162700
 H                  3.85394200    9.18242500    2.57307400
 H                  4.00950800    5.26677400    4.33456500
 C                  0.39643200    2.02195700    1.07624600
 C                  1.52448900    1.41572800    1.67687600
 C                  1.35350500    0.45805400    2.68455000
 C                  0.08394000    0.05205900    3.10845100
 C                 -1.02923500    0.65253500    2.49371100
 C                 -0.90234000    1.62214500    1.49790900
 C                  4.52776300    3.56325800    0.78946800
 H                  2.24092600    0.01887800    3.14519900
 H                 -2.03272100    0.35822300    2.80931400
 C                  4.26553400    2.88037100   -1.61653300
 C                  5.03182700    2.84146100   -0.42793600
 C                  6.25594200    2.16108100   -0.40519900
 C                  6.76948800    1.52753900   -1.54148700
 C                  6.00327200    1.58393000   -2.71943100
 C                  4.77195800    2.23824800   -2.78068600
 C                  2.71316000    3.93326300    2.38060600
 H                  6.82108500    2.13201700    0.52877000
 H                  6.37725200    1.09119600   -3.61979900
 C                  2.89700000    1.80223900    1.20550400
 H                  3.09836400    1.38647200    0.21098500
 H                  3.65964900    1.38984600    1.88907300
 H                  3.21621200    3.41243200    3.21356100
 H                  4.61138000    4.64794300    0.65483400
 H                  5.14234500    3.29769000    1.66757100
 H                  1.63573600    3.77608200    2.50625100
 C                 -0.26606600    6.75891200   -1.64459200
 C                  0.47205000    5.79366100   -2.59561700
 C                 -1.55787300    6.14943900   -1.10000400
 C                 -0.43233800    5.47097200   -3.82591000
 H                 -0.20427600    4.42802300   -4.07514400
 H                 -0.14261000    6.09249800   -4.68406100
 C                 -1.94087700    5.64859000   -3.56861900
 H                 -1.28778500    5.52776000   -0.24241300
 C                 -2.32791900    5.26929300   -2.12472500
 H                 -2.18587200    6.95943400   -0.71225500
 H                 -2.00114000    4.23657200   -1.96178100
 O                 -1.13293300   10.07970000   -2.61504500
 C                 -1.77645900   11.32769900   -2.21407300
 C                 -0.93807700   12.19964900   -1.23889600
 C                 -3.23939000   11.13630500   -1.78676800
 H                 -1.76745500   11.85079000   -3.17251500
 C                 -1.28521000   12.07476900    0.23965400
 C                 -3.47019400   10.89104500   -0.27912100
 H                 -3.66009800   10.31490900   -2.37909100
 H                 -3.76722900   12.05217500   -2.08219800
 C                 -2.78962100   12.01453400    0.52838300
 H                 -0.81886000   12.90943800    0.77691800
 H                 -0.81491800   11.14741100    0.58239900
 H                 -2.98418000    9.94985900   -0.00919000
 H                 -3.24360600   12.98315600    0.28229900
 H                 -2.94505200   11.84175300    1.60140500
 C                  2.57449500    8.52896000    0.27734200
 H                  2.90299500    8.12482400   -0.68729500
 H                  1.48513200    8.64320000    0.21696700
 H                  3.01523200    9.52502700    0.41086000
 C                  3.94432900    2.28672700   -4.03786300
 H                  2.93819400    1.88644500   -3.85750700
 H                  3.79583800    3.32374600   -4.36802200
 H                  4.41900100    1.71997700   -4.84861700
 C                  4.70288000    7.88292100    4.82624200
 H                  5.46320300    8.62225700    4.53846800
 H                  3.99300500    8.39388100    5.49534200
 H                  5.20064700    7.10085800    5.41349400
 C                 -2.09329700    2.27551500    0.85010700
 H                 -2.11742100    3.35387700    1.05633100
 H                 -2.03384600    2.18475700   -0.24171700
 H                 -3.03326800    1.83112700    1.19976500
 C                 -0.09330000   -1.00461600    4.17564800
 H                 -0.83779900   -0.70083900    4.92526100
 H                 -0.43602100   -1.96115400    3.75097400
 H                  0.85007900   -1.19897600    4.70143300
 C                  8.10551500    0.81971800   -1.51584400
 H                  8.04386100   -0.17839700   -1.97284200
 H                  8.87530000    1.37980700   -2.06933400
 H                  8.46736800    0.69415800   -0.48756400
 Cl                -1.49128100   14.01551000   -1.74498100
 C                  0.55230900   12.13969600   -1.51327800
 H                  0.93011700   11.15899800   -1.20212100
 H                  0.76859800   12.27891600   -2.57667300
 H                  1.07255000   12.91082600   -0.93635300
 C                 -4.94998100   10.74381900    0.02931400
 C                 -5.45079900    9.55455900    0.39525800
 H                 -4.81533200    8.67556000    0.48875200
 H                 -6.51151100    9.42222900    0.60796900
 C                 -5.83058300   11.96479800   -0.09303600
 H                 -5.75091800   12.42430100   -1.08783800
 H                 -6.88223700   11.71258400    0.08241100
 H                 -5.53881700   12.73769200    0.63162900
 H                 -2.21740800    6.69416600   -3.75207900
 C                  1.81155600    6.38423500   -3.06960300
 H                  2.29677200    5.66909400   -3.74405400
 H                  1.66931200    7.33795000   -3.59466700
 H                  2.47150400    6.54118700   -2.21017300
 H                  0.39576300    7.04686200   -0.82963100
 H                 -2.52099100    5.03542700   -4.27373000
 C                 -3.82315200    5.35203900   -1.88446600
 C                 -4.50636000    4.32668400   -1.35321300
 H                 -4.01122000    3.39379900   -1.09223100
 H                 -5.57759500    4.39334000   -1.15914400
 C                 -4.51754800    6.64136700   -2.26104400
 H                 -4.00077200    7.51654300   -1.84502400
 H                 -4.52563100    6.77624900   -3.35191200
 H                 -5.55416100    6.65828200   -1.90574300
   
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        


