%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                 -0.50646500   -1.82799000   -0.30841200
 O                  1.35687000   -0.64826800    1.42558300
 O                 -1.72106200    0.08532500    1.32301100
 O                 -0.79376000   -2.83184600    2.27814400
 C                  2.19809400   -0.75279200    0.39768300
 C                  3.36194800    0.06510700    0.36434500
 C                  4.23522800   -0.03759300   -0.72131600
 C                  4.01251000   -0.91552000   -1.79479000
 C                  2.85999000   -1.70496700   -1.75055500
 C                  1.96352000   -1.64435700   -0.67614500
 H                  4.48593000    1.67297100    1.25892600
 H                  5.12128200    0.60061700   -0.73384200
 H                  4.55870700   -1.54942400   -3.79216000
 H                  2.64422300   -2.39083500   -2.57220500
 H                 -3.33810400    2.12482300    2.26838700
 C                 -1.07410300   -3.97806000    1.67378700
 C                 -1.48733500   -4.04272500    0.32252500
 C                 -1.74053900   -5.28335600   -0.27662100
 C                 -1.61883800   -6.48239900    0.43270400
 C                 -1.21725400   -6.40326200    1.77803000
 C                 -0.94206600   -5.18911700    2.40939600
 C                 -0.68790100   -0.67099600   -1.23584700
 H                 -2.04216500   -5.30612600   -1.32595400
 H                 -1.12665900   -8.55128500   -0.00929700
 H                 -1.10720200   -7.32511800    2.35355000
 H                  0.47886600   -4.62740300    3.93874400
 C                 -2.42198000    0.39135500    0.24031200
 C                 -2.00370300    0.03239900   -1.06217800
 C                 -2.80105600    0.35383500   -2.16805300
 C                 -4.00692900    1.04896700   -2.03060700
 C                 -4.40514100    1.40967300   -0.73087700
 C                 -3.64688000    1.09683600    0.39839200
 C                  0.75976500   -2.54256500   -0.64549600
 H                 -2.46387000    0.05229500   -3.16203500
 H                 -4.49693500    0.89995100   -4.13402400
 H                 -5.34614400    1.94738100   -0.59416900
 C                 -1.66230000   -2.76522000   -0.44778400
 H                 -2.54842600   -2.22071500   -0.10050600
 H                 -1.81712900   -2.98805400   -1.51772200
 H                  0.64093900   -3.04215500   -1.62265700
 H                  0.14461300    0.01611100   -1.04329600
 H                 -0.58271900   -1.02486100   -2.27624900
 H                  0.88445000   -3.33220800    0.10468400
 C                 -4.85049400    1.41390900   -3.23135400
 H                 -5.90530100    1.14132200   -3.08294800
 H                 -4.82363600    2.49545600   -3.43615300
 C                  3.62820300    1.02983100    1.49009600
 H                  2.75577200    1.66366300    1.68572400
 H                  3.84149900    0.50930800    2.43274900
 C                  4.99241500   -1.00707800   -2.94257000
 H                  5.29175600   -0.01101300   -3.29806200
 H                  5.91334600   -1.53517700   -2.65051500
 C                 -0.50117100   -5.11129700    3.84609300
 H                 -1.19102000   -4.49075400    4.43098500
 H                 -0.44561900   -6.10676900    4.30291800
 C                 -1.91935200   -7.81688900   -0.21172800
 H                 -2.86081300   -8.24861500    0.16231000
 H                 -2.01343500   -7.71876100   -1.30062100
 C                 -4.08005900    1.47072900    1.79120000
 H                 -5.05119800    1.98121400    1.78174700
 H                 -4.14689300    0.58100000    2.43091200
 Al                -0.39656800   -1.09462500    1.81459500
 O                 -0.40716800   -0.60194900    3.56658000
 C                  0.23050100    0.36494000    4.35578900
 C                  1.62214800   -0.25540000    4.52854600
 C                 -0.50479700    0.44693800    5.71758900
 C                  0.24399400    1.73487600    3.66398700
 H                  2.16583900   -0.23028900    3.58948400
 C                  1.61895600   -1.64557100    5.17314400
 H                 -0.30639400    1.41786500    6.18893900
 H                 -1.57284200    0.40230200    5.47017500
 C                 -0.12948400   -0.68275200    6.70140400
 H                  0.73611500    1.65109800    2.68951300
 H                  0.76253600    2.49174000    4.26279800
 H                 -0.79324700    2.04568900    3.49327400
 H                  2.49468400   -1.72781700    5.82392800
 C                  0.33170900   -1.95821900    5.95652000
 H                  1.74369400   -2.38538400    4.37245000
 H                  0.69003700   -0.35549100    7.35617500
 H                 -0.98793900   -0.90168200    7.34827400
 C                  0.42223600   -3.17313100    6.85774300
 C                  1.53914700   -3.88625500    7.07240200
 C                 -0.88194200   -3.59940300    7.49723600
 H                  1.52222900   -4.77404300    7.70481700
 H                  2.49541600   -3.62612300    6.62712300
 H                 -1.20243100   -2.88573700    8.26925400
 H                 -1.68591900   -3.63602400    6.74914900
 H                 -0.79510100   -4.58730200    7.96434600
 H                 -0.44105700   -2.17552100    5.20625300
 Br                 2.89843100    1.04487500    5.69451900
   
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        
****
Br     0 
S   2   1.00
      1.1590000             -3.0378769        
      0.7107000              3.3703735        
S   1   1.00
      0.1905000              1.0000000        
P   2   1.00
      2.6910000             -0.1189800        
      0.4446000              1.0424471        
P   1   1.00
      0.1377000              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        
BR     0
BR-ECP     3     28
f-ul potential
  4
1    213.6143969            -28.0000000        
2     41.0585380           -134.9268852        
2      8.7086530            -41.9271913        
2      2.6074661             -5.9336420        
s-ul potential
  4
0     54.1980682              3.0000000        
1     32.9053558             27.3430642        
2     13.6744890            118.8028847        
2      3.0341152             43.4354876        
p-ul potential
  5
0     54.2563340              5.0000000        
1     26.0095593             25.0504252        
2     28.2012995             92.6157463        
2      9.4341061             95.8249016        
2      2.5321764             26.2684983        
d-ul potential
  5
0     87.6328721              3.0000000        
1     61.7373377             22.5533557        
2     32.4385104            178.1241988        
2      8.7537199             76.9924162        
2      1.6633189              9.4818270    


