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

LO-FCb-cis-trans-solv

-1 1
 O                 -1.82830100    7.03832300   -2.84090000
 C                 -1.37725500    8.26552500   -2.62143900
 O                 -0.55928500    8.62184100   -1.79598700
 Al                 1.26164600    3.97413300   -0.44402800
 N                  2.50412700    3.54004600    1.38669500
 O                  0.24135300    5.04745700    0.67402300
 O                  2.81826100    4.68960400   -1.13391700
 O                  0.26660900    4.14941500   -1.94463400
 O                  0.94110000    2.15962800   -0.43743900
 C                  0.18297400    5.33938700    1.97322400
 C                 -0.55489400    6.47969000    2.40055500
 C                 -0.60452900    6.79398700    3.76086900
 C                  0.05382000    6.03326800    4.74040500
 C                  0.77852500    4.92030500    4.30592500
 C                  0.84151400    4.55858500    2.95442200
 H                 -1.17360300    7.67439200    4.06722300
 H                  1.31231500    4.30699900    5.03464500
 C                  1.35058900    1.07305000    0.19622800
 C                  2.49594400    1.05946700    1.02650700
 C                  2.86296600   -0.11492900    1.69621000
 C                  2.13948200   -1.30316700    1.55328500
 C                  1.00808900   -1.27871900    0.71778200
 C                  0.59900400   -0.12647500    0.04581200
 C                  3.41006400    4.69204000    1.66930500
 H                  3.74213400   -0.09531300    2.34372900
 H                  0.42053400   -2.19123300    0.59250900
 C                  4.07129600    4.89821200   -0.74836400
 C                  4.45775600    4.89304500    0.61270200
 C                  5.79951300    5.08599900    0.96413100
 C                  6.79030400    5.30661900    0.00239600
 C                  6.39361500    5.31337900   -1.34599000
 C                  5.06898000    5.11367100   -1.73965200
 C                  1.59101900    3.32340700    2.54520300
 H                  6.07132900    5.06166700    2.02143600
 H                  7.14814200    5.47035800   -2.12008400
 C                  3.31947400    2.30946100    1.15553800
 H                  3.89985600    2.48573100    0.24206200
 H                  4.04402500    2.19909500    1.98149200
 H                  2.17656400    2.94166700    3.39967800
 H                  2.77208900    5.57926800    1.75519400
 H                  3.89008800    4.54104200    2.65208700
 H                  0.89595700    2.52845700    2.25210200
 C                 -1.26120500    5.94194000   -2.00069100
 C                 -0.21622800    5.12383100   -2.80547700
 C                 -2.43651800    5.09174800   -1.54168900
 C                 -0.92911300    4.40972500   -3.98011100
 H                 -0.17531900    3.81353200   -4.51162500
 H                 -1.32717600    5.15823300   -4.68170800
 C                 -2.05578600    3.50567800   -3.47169200
 H                 -2.02606200    4.39183100   -0.80828600
 C                 -3.11318600    4.32634500   -2.70094600
 H                 -3.17186800    5.72603000   -1.02829100
 O                 -1.99752000    9.07691000   -3.52220700
 C                 -1.82143100   10.52685800   -3.50543300
 C                 -0.37416300   10.98324900   -3.83826000
 C                 -2.43404700   11.22122200   -2.27774800
 H                 -2.42838500   10.78721700   -4.37500300
 C                  0.50486900   11.32485700   -2.64294300
 C                 -1.48948400   11.45006300   -1.07803000
 H                 -3.31734500   10.64872000   -1.96896900
 H                 -2.79120900   12.19498900   -2.63642800
 C                 -0.20162900   12.14930700   -1.56211700
 H                  1.40063200   11.84291200   -3.00640100
 H                  0.81845200   10.36522600   -2.21703600
 H                 -1.20149400   10.47288300   -0.68311000
 H                 -0.43591900   13.14375100   -1.96370700
 H                  0.47671900   12.28934800   -0.71081600
 C                 -1.26284700    7.33081900    1.38156500
 H                 -0.56626000    7.74013500    0.64092400
 H                 -1.99858200    6.74177400    0.82030700
 H                 -1.78737000    8.16379000    1.86560800
 C                  4.66046700    5.10681700   -3.18890200
 H                  4.09639800    4.19663500   -3.42933800
 H                  3.98777700    5.94549500   -3.41104800
 H                  5.53563200    5.17421400   -3.84709900
 C                 -0.03871200    6.39706600    6.20495600
 H                  0.08615400    7.47773400    6.36050000
 H                 -1.01485300    6.12022800    6.63297900
 H                  0.73337100    5.88274000    6.79109400
 C                 -0.62343800   -0.09386100   -0.83281300
 H                 -1.37386000    0.59996900   -0.43078700
 H                 -0.37415300    0.28465200   -1.83223000
 H                 -1.07558800   -1.08943400   -0.92342500
 C                  2.55218700   -2.57244800    2.26408900
 H                  1.73008900   -2.98721700    2.86595500
 H                  2.85709100   -3.35645600    1.55409800
 H                  3.39872800   -2.39059600    2.93789500
 C                  8.23222000    5.54226700    0.39201500
 H                  8.92008000    4.94582300   -0.22403000
 H                  8.52188800    6.59742700    0.26820300
 H                  8.40712200    5.27541600    1.44187700
 Cl                -0.68694600   12.68908300   -4.76070200
 C                  0.31788200   10.09734900   -4.85617700
 H                  0.57736200    9.14403800   -4.38125600
 H                 -0.32726900    9.89611300   -5.71634100
 H                  1.24130200   10.57329100   -5.20061100
 C                 -2.17566600   12.21206500    0.04239800
 C                 -2.29576300   11.66095200    1.25940400
 H                 -1.91583800   10.66213100    1.46721900
 H                 -2.77401700   12.19198700    2.08255000
 C                 -2.70076400   13.59914800   -0.24525500
 H                 -3.47816700   13.58267700   -1.02191200
 H                 -3.13212000   14.05116600    0.65480200
 H                 -1.90506200   14.26084400   -0.61394100
 H                 -2.54062900    2.97706400   -4.30588500
 C                  0.90007500    6.03398900   -3.34676600
 H                  1.65447100    5.40435300   -3.82815600
 H                  0.51412300    6.75031300   -4.08522000
 H                  1.38451000    6.57833500   -2.53066500
 H                 -0.76116300    6.40029000   -1.15037500
 H                 -1.60777000    2.75833200   -2.80649900
 H                 -3.52656300    5.07698000   -3.39064300
 C                 -4.26948700    3.48229200   -2.20149000
 C                 -5.53672500    3.77524800   -2.53234900
 H                 -5.77101400    4.62186000   -3.17724600
 H                 -6.37586900    3.18234600   -2.16715200
 C                 -3.94227400    2.30479200   -1.31501400
 H                 -3.35908700    1.55247600   -1.86208800
 H                 -3.32495900    2.60745900   -0.45919900
 H                 -4.85256000    1.82638100   -0.93539200
   
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        


