%chk=LO-int2a1-cis-solv.chk
%nprocshared=8
%mem=22GB
#p scrf=(solvent=1-Hexanol) b97d3/gen pseudo=read nosymm

LO-int2a1-cis-solv

-1 1
 N                  1.54038500   11.98244700    0.14233300
 O                  3.77352300   10.27878600    0.11061500
 O                  0.80898000    9.28506100    0.13336500
 O                  2.01903800   10.91064300   -2.39831000
 C                  2.68801600   12.94079600    0.15425200
 H                  3.02628800   13.03823100   -0.88354400
 H                  2.32358600   13.93292900    0.47084300
 C                  3.82008500   12.49862500    1.03859900
 C                  4.30866600   11.17485100    0.92976900
 C                  5.41214900   10.78137700    1.73633300
 C                  5.97984500   11.70594300    2.61401100
 H                  6.82495400   11.38884500    3.22912500
 C                  5.49768900   13.02098300    2.74119700
 C                  4.40976600   13.39034800    1.94440200
 H                  4.00422600   14.40123700    2.02208900
 C                  1.07636700   11.75293300    1.54498000
 H                  1.91407400   11.28651000    2.07698700
 H                  0.89124600   12.73049000    2.02236700
 C                 -0.15184200   10.89453200    1.63408400
 C                 -0.18696600    9.67540200    0.92032200
 C                 -1.33241900    8.84181100    1.04035700
 C                 -2.38892600    9.24885700    1.85644200
 H                 -3.26442100    8.60086400    1.93621700
 C                 -2.37149400   10.46368100    2.56477000
 C                 -1.24028800   11.27439000    2.43021600
 H                 -1.19489700   12.22833000    2.95971700
 C                  0.41409200   12.53603300   -0.67345000
 H                 -0.34433800   11.74591400   -0.73161200
 H                 -0.04049600   13.38198600   -0.13076000
 C                  0.84317200   12.97636700   -2.04375700
 C                  1.64251700   12.11057900   -2.82798600
 C                  2.08730600   12.55857600   -4.10204700
 C                  1.68887300   13.81655000   -4.55992600
 H                  2.03985000   14.14754300   -5.53972400
 C                  0.87316400   14.67424500   -3.80292200
 C                  0.47694600   14.23484400   -2.53572000
 H                 -0.13036000   14.88703100   -1.90486700
 Al                 2.18825100   10.07304800   -0.77341500
 C                  2.26556800    7.61166100   -2.35142500
 O                  2.78718800    8.46520300   -1.54842200
 O                  2.82347100    6.65018500   -2.86666700
 O                  0.92372400    7.91353600   -2.60854400
 C                  0.06907900    7.08523900   -3.42812400
 C                  0.48105500    7.07593800   -4.92475200
 C                 -0.23227600    5.68626100   -2.85679300
 H                 -0.85888400    7.66166800   -3.37929800
 C                  1.31676100    5.88548500   -5.37120200
 C                  0.68914300    4.53604200   -3.31994400
 H                 -0.21650900    5.75742500   -1.76458000
 H                 -1.26500500    5.45528300   -3.15094600
 C                  0.80023000    4.53811600   -4.85702100
 H                  1.38033500    5.88879100   -6.46690500
 H                  2.31776300    6.06538300   -4.96151800
 H                  1.68452500    4.73514300   -2.91551500
 H                 -0.17814300    4.33385500   -5.31106500
 H                  1.48423700    3.73931500   -5.17624300
 Cl                -1.24842900    6.87661600   -5.85818400
 C                  0.43573300   16.01567300   -4.34586800
 H                  1.25168300   16.51828800   -4.88335200
 H                 -0.40284900   15.91520400   -5.05255300
 H                  0.10442500   16.68221000   -3.53934700
 C                  3.00211500   11.67329500   -4.90610800
 H                  3.84474900   11.32861100   -4.29364700
 H                  2.48232800   10.76902800   -5.24307100
 H                  3.38781400   12.20203500   -5.78637700
 C                 -1.36351400    7.55677900    0.25880200
 H                 -1.25525000    7.75875500   -0.81300000
 H                 -0.51277500    6.91644600    0.52621000
 H                 -2.29560900    7.00485600    0.43083500
 C                 -3.53450400   10.86761400    3.44275800
 H                 -4.49005000   10.80761700    2.90198800
 H                 -3.62359900   10.21674300    4.32605900
 H                 -3.41924100   11.89753000    3.80308600
 C                  6.14525300   13.99672800    3.69773900
 H                  6.26039100   13.56351700    4.70175500
 H                  7.14960400   14.29429000    3.35879500
 H                  5.54697200   14.91127800    3.79557300
 C                  5.91614600    9.36779100    1.61434000
 H                  5.12605800    8.64890600    1.86936200
 H                  6.19695600    9.14181200    0.57772900
 H                  6.78000800    9.19669600    2.26863000
 C                  1.03289300    8.40672300   -5.39068000
 H                  0.39241300    9.23667800   -5.08058900
 H                  2.01837100    8.55090500   -4.93448700
 H                  1.14112000    8.41327600   -6.48047000
 C                  0.20937000    3.20662500   -2.76436200
 C                  0.89510400    2.58845000   -1.79094600
 H                  0.55714600    1.64438800   -1.36226600
 H                  1.81250400    3.01734000   -1.39024500
 C                 -1.05947600    2.61071900   -3.32790700
 H                 -1.89027400    3.32870400   -3.29759200
 H                 -0.92976800    2.33093500   -4.38286900
 H                 -1.35884300    1.71469900   -2.77178700
   
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        


