%chk=LO-int1b-cis-solv.chk
%nprocshared=8
%mem=22GB
#p scrf=(solvent=1-Hexanol) b97d3/gen pseudo=read nosymm

LO-int1b-cis-solv

-1 1
 N                 -0.51046000   -1.82801200   -0.30579300
 O                  1.34223700   -0.63990400    1.43101300
 O                 -1.73717300    0.08314200    1.31879600
 O                 -0.81119900   -2.82920800    2.28064200
 C                  2.18807900   -0.74590500    0.40777200
 C                  3.34906000    0.07644200    0.37445000
 C                  4.22764500   -0.02945000   -0.70670100
 C                  4.01312500   -0.91441000   -1.77596900
 C                  2.86250000   -1.70684400   -1.73288600
 C                  1.96088000   -1.64315800   -0.66316000
 H                  4.45762500    1.70159800    1.25564200
 H                  5.11109200    0.61242700   -0.71935600
 H                  4.56792200   -1.55107000   -3.77009500
 H                  2.65218200   -2.39717100   -2.55222800
 H                 -3.34753200    2.10847900    2.26142000
 C                 -1.08923500   -3.97557200    1.67619700
 C                 -1.49407900   -4.04216600    0.32241200
 C                 -1.74421500   -5.28359100   -0.27636600
 C                 -1.62821400   -6.48165500    0.43555400
 C                 -1.23607400   -6.40067800    1.78359700
 C                 -0.96408300   -5.18574700    2.41475600
 C                 -0.68779600   -0.67212600   -1.23487800
 H                 -2.03926700   -5.30772400   -1.32755500
 H                 -1.13357600   -8.55102700   -0.00211400
 H                 -1.13130600   -7.32167300    2.36152300
 H                  0.44507600   -4.62268000    3.95496800
 C                 -2.43044900    0.38987700    0.23194300
 C                 -2.00459600    0.03139800   -1.06831000
 C                 -2.79521800    0.35422300   -2.17865000
 C                 -4.00122800    1.05049400   -2.04807100
 C                 -4.40677400    1.41117700   -0.75054200
 C                 -3.65558300    1.09680800    0.38290900
 C                  0.75772700   -2.54235100   -0.63471500
 H                 -2.45236700    0.05300200   -3.17082100
 H                 -4.47767300    0.90456600   -4.15481100
 H                 -5.34779900    1.95024400   -0.61919900
 C                 -1.66464200   -2.76580800   -0.45072500
 H                 -2.55311100   -2.22132300   -0.10946200
 H                 -1.81314300   -2.99040600   -1.52132400
 H                  0.64415500   -3.04551900   -1.61078100
 H                  0.14335100    0.01561100   -1.03883600
 H                 -0.57753200   -1.02647600   -2.27470500
 H                  0.87978500   -3.32937100    0.11867700
 C                 -4.83726700    1.41695300   -3.25361700
 H                 -5.89292000    1.14361900   -3.11249700
 H                 -4.80972000    2.49885400   -3.45661300
 C                  3.60593600    1.05256400    1.49308000
 H                  2.72722200    1.67960700    1.68245900
 H                  3.82421000    0.54274500    2.44052400
 C                  4.99891100   -1.00986400   -2.91837500
 H                  5.30359500   -0.01499700   -3.27264100
 H                  5.91646900   -1.54113500   -2.62133000
 C                 -0.53471100   -5.10550300    3.85481200
 H                 -1.22891900   -4.48263000    4.43219900
 H                 -0.48443200   -6.10011100    4.31421900
 C                 -1.92542700   -7.81688800   -0.20891200
 H                 -2.86857000   -8.24849400    0.16106600
 H                 -2.01440300   -7.71981800   -1.29834400
 C                 -4.09595200    1.46990400    1.77365800
 H                 -5.05890600    1.99557400    1.75813800
 H                 -4.18313600    0.57778100    2.40778800
 Al                -0.41155700   -1.09041800    1.82261600
 O                 -0.42242500   -0.59607400    3.57009000
 C                  0.23383200    0.35895000    4.35589300
 C                  1.63324000   -0.24922500    4.52780100
 C                 -0.48602700    0.44225500    5.72739800
 C                  0.25162200    1.73486100    3.67404400
 H                  2.16706100   -0.22535600    3.58310500
 C                  1.63191200   -1.64622700    5.15789000
 Cl                 2.76092900    0.93449700    5.62072800
 H                 -0.28248900    1.41335400    6.19592800
 H                 -1.55659600    0.39668500    5.49166500
 C                 -0.09862900   -0.68661500    6.70752000
 H                  0.70475100    1.64703600    2.68114700
 H                  0.81182500    2.47246400    4.25942300
 H                 -0.78281700    2.07462200    3.54541600
 H                  2.51751400   -1.72880100    5.79609600
 C                  0.35422600   -1.96107700    5.95565300
 H                  1.74445100   -2.38046900    4.35094500
 H                  0.72916400   -0.35851200    7.35107600
 H                 -0.94876000   -0.90641700    7.36508800
 C                  0.45418800   -3.17818000    6.85272700
 C                  1.57341200   -3.89200500    7.05305000
 C                 -0.84269900   -3.60636700    7.50553400
 H                  1.56366100   -4.78169600    7.68300000
 H                  2.52443400   -3.63058200    6.59736000
 H                 -1.15689700   -2.89259900    8.28002600
 H                 -1.65375200   -3.64500000    6.76530300
 H                 -0.74948700   -4.59381100    7.97247000
 H                 -0.42712400   -2.17580400    5.21337000
   
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        


