%chk=LO-ts2a1-cis-solv.chk
%nprocshared=8
%mem=22GB
#p scrf=(solvent=1-Hexanol) b97d3/gen pseudo=read nosymm

LO-ts2a1-cis-solv

-1 1
 N                  1.61419300   12.05357700   -0.18959700
 O                  3.45618700   10.12400100   -0.88577500
 O                  0.68166400    9.51267500   -1.23042300
 O                  0.91225700   11.82249400   -2.91774600
 C                  2.88152000   12.82314800    0.03457400
 H                  3.11506000   13.30430800   -0.92428300
 H                  2.67888400   13.62875500    0.76011700
 C                  4.03949500   11.98945300    0.51716700
 C                  4.27282400   10.69707700   -0.01786600
 C                  5.41323300    9.97089800    0.43308100
 C                  6.26180600   10.54273000    1.38079300
 H                  7.13031300    9.97006300    1.71401600
 C                  6.03540900   11.81904200    1.92585500
 C                  4.91036700   12.51780600    1.47991400
 H                  4.69847400   13.50887500    1.88735000
 C                  1.26938400   11.22872400    1.01821600
 H                  2.10817800   10.54630800    1.17897500
 H                  1.21100600   11.89836400    1.89172700
 C                 -0.01606400   10.45721700    0.86985300
 C                 -0.20834200    9.61101300   -0.25203700
 C                 -1.40272900    8.84226500   -0.33552200
 C                 -2.35458700    8.94447700    0.67967500
 H                 -3.26896000    8.35238300    0.59783800
 C                 -2.18453200    9.78869000    1.79142000
 C                 -1.00666500   10.53878800    1.85838100
 H                 -0.84366600   11.20736500    2.70624700
 C                  0.49410000   13.01670300   -0.44558200
 H                 -0.41003100   12.40512500   -0.54374100
 H                  0.37612900   13.65610300    0.44526600
 C                  0.68739000   13.84447600   -1.67881300
 C                  0.85463200   13.14745000   -2.89867100
 C                  0.93954700   13.89217400   -4.10567000
 C                  0.87205500   15.28610400   -4.04709800
 H                  0.94532800   15.84932300   -4.98043400
 C                  0.72907500   15.99063900   -2.83791500
 C                  0.64077100   15.24287900   -1.65850000
 H                  0.51974600   15.75437400   -0.70103400
 Al                 1.95145700   10.71194400   -1.82835200
 C                  3.72476000   10.71534800   -3.92802900
 O                  3.63428700   11.64445600   -3.13930700
 O                  4.30479100   10.33701800   -4.90710000
 O                  2.49481800    9.66682900   -3.35016700
 C                  2.17596400    8.27780600   -3.54935400
 C                  1.75970800    8.02353800   -5.01456000
 C                  3.27241100    7.33912600   -3.03930600
 H                  1.28465900    8.13504600   -2.93200400
 C                  2.91477600    7.71232400   -5.95536900
 C                  4.45783800    7.18401300   -4.00953900
 H                  3.60423500    7.72822600   -2.07219700
 H                  2.80656900    6.35991700   -2.87033700
 C                  3.93512400    6.71802200   -5.38770000
 H                  2.51370400    7.36106900   -6.91461200
 H                  3.41677600    8.67224800   -6.12986800
 H                  3.46727000    5.72857300   -5.29961700
 H                  4.77852800    6.62387200   -6.08502100
 C                  0.81048200    9.08061300   -5.54210600
 H                 -0.00521300    9.26160200   -4.83675200
 H                  1.36375400   10.01786000   -5.65708300
 H                  0.40123700    8.77875200   -6.51240400
 Cl                 0.69522300    6.37397800   -4.90688300
 C                 -3.24010600    9.87385700    2.87087300
 H                 -4.22497000   10.13521100    2.45639800
 H                 -3.35881000    8.91691800    3.40168600
 H                 -2.98077900   10.63506400    3.61717300
 C                 -1.59903200    7.95452100   -1.53623300
 H                 -1.55987900    8.53947900   -2.46464500
 H                 -0.79642500    7.20995800   -1.61864600
 H                 -2.56106200    7.42982300   -1.48845000
 C                  5.66082400    8.59925800   -0.13510000
 H                  4.81611000    7.92844100    0.07395300
 H                  5.75695100    8.63238600   -1.22724700
 H                  6.57339100    8.15468100    0.28076800
 C                  1.12198400   13.15193400   -5.40392900
 H                  2.09333900   12.64072800   -5.42485400
 H                  0.35842800   12.37248300   -5.51952800
 H                  1.06868000   13.83492200   -6.26097000
 C                  0.69433400   17.50238400   -2.82117200
 H                  1.67223600   17.93583800   -3.08189200
 H                 -0.03521500   17.89929900   -3.54196700
 H                  0.42116800   17.88112800   -1.82812100
 C                  6.98502800   12.41237300    2.94187300
 H                  7.94126500   12.70895400    2.48313500
 H                  6.55544500   13.30695700    3.41063100
 H                  7.22136400   11.69658200    3.74241300
 H                  4.91155300    8.16991900   -4.15418500
 C                  5.53600000    6.26300300   -3.47101800
 C                  6.81466200    6.66495100   -3.41279700
 H                  7.10514600    7.66641400   -3.72698000
 H                  7.60389400    6.01223300   -3.03886500
 C                  5.12541300    4.88580700   -3.00693000
 H                  4.49615400    4.94813500   -2.10837300
 H                  4.53074900    4.36496900   -3.76987500
 H                  6.00024500    4.27005200   -2.76799900
   
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        


