%chk=LO-ts2b1-cis-solv.chk
%nprocshared=8
%mem=22GB
#p scrf=(solvent=1-Hexanol) b97d3/gen pseudo=read nosymm

LO-ts2b1-cis-solv

-1 1
 N                  1.63270600   11.91163200   -0.22118300
 O                  3.50831200    9.90369600   -0.13291300
 O                  0.91295500    9.21674600   -1.05389300
 O                  1.51654900   11.21732400   -2.96808100
 C                  2.81748600   12.72670100    0.19790400
 H                  3.28027600   13.08886300   -0.72780400
 H                  2.45307000   13.61015600    0.74936900
 C                  3.81835300   11.98347100    1.04479700
 C                  4.13108000   10.62494300    0.78544000
 C                  5.13777200    9.99781200    1.57569000
 C                  5.77744900   10.72183800    2.58072300
 H                  6.54716200   10.22230800    3.17353100
 C                  5.46407700   12.06426000    2.85842900
 C                  4.47660200   12.66823600    2.07628400
 H                  4.20627200   13.70926800    2.26655300
 C                  0.99315500   11.27014200    0.97790200
 H                  1.75315500   10.62759700    1.42969200
 H                  0.74742600   12.06140200    1.70462400
 C                 -0.23971000   10.47322300    0.64630800
 C                 -0.18734900    9.46234200   -0.34762400
 C                 -1.35836600    8.69360300   -0.59832900
 C                 -2.51822300    8.95183800    0.13520800
 H                 -3.40843600    8.35514700   -0.07520300
 C                 -2.58619400    9.95459600    1.11662600
 C                 -1.43082600   10.70683000    1.34674800
 H                 -1.44691100   11.50107900    2.09588000
 C                  0.62817100   12.81181600   -0.87555600
 H                 -0.25139900   12.18885700   -1.07271900
 H                  0.33552900   13.59112400   -0.15202000
 C                  1.11560400   13.42019800   -2.15428800
 C                  1.50715800   12.52882300   -3.18015400
 C                  1.87730900   13.06040300   -4.44354900
 C                  1.86544500   14.44505800   -4.62649300
 H                  2.16573000   14.84388100   -5.59821700
 C                  1.50051200   15.34245300   -3.60672600
 C                  1.12792400   14.80257100   -2.37066500
 H                  0.83036300   15.46762700   -1.55710700
 Al                 2.31679000   10.33749300   -1.51393200
 C                  4.75239100   10.30063100   -2.70693200
 O                  4.21772600   11.32233700   -2.30619300
 O                  5.76971600    9.79211700   -3.05810000
 O                  3.33478200    9.21810100   -2.74301100
 C                  3.34020500    7.80523500   -3.05292600
 C                  1.86585700    7.55341900   -3.44014500
 C                  4.23695000    7.52151100   -4.27028100
 C                  1.42869600    8.27995900   -4.69553500
 C                  3.84472300    8.35613900   -5.49516800
 H                  5.27693700    7.72249300   -4.00407900
 H                  4.14842300    6.45021300   -4.48118800
 C                  2.37015500    8.20204200   -5.93038700
 H                  0.41630400    7.96590100   -4.97191300
 H                  1.37277500    9.33239300   -4.38515300
 H                  2.12451500    9.09509600   -6.52065700
 Cl                 1.52842100    5.66466200   -3.60398500
 C                 -3.85659800   10.19450300    1.90056800
 H                 -4.02902800    9.40674200    2.65049400
 H                 -3.81771300   11.15232800    2.43460300
 H                 -4.73824500   10.21248900    1.24441400
 C                 -1.32465500    7.63376900   -1.66742700
 H                 -1.09200300    8.07242200   -2.64693600
 H                 -0.54586100    6.88560900   -1.47330400
 H                 -2.28940700    7.11743200   -1.74043000
 C                  5.48749900    8.56418800    1.27819000
 H                  4.59677700    7.92442000    1.32029700
 H                  5.88208300    8.46680600    0.25803400
 H                  6.23709800    8.18459500    1.98375100
 C                  2.29338900   12.10856500   -5.53199400
 H                  3.10321000   11.45931700   -5.17945600
 H                  1.46588500   11.44236600   -5.81237900
 H                  2.62827200   12.64575200   -6.42757600
 C                  1.52927200   16.83607000   -3.84155900
 H                  2.55370900   17.20253800   -4.00817600
 H                  0.93888200   17.12009400   -4.72504200
 H                  1.12101100   17.37943400   -2.98015800
 C                  6.17202900   12.81626000    3.96277900
 H                  7.25505100   12.88420500    3.77933300
 H                  5.78780000   13.84008200    4.05304600
 H                  6.04246800   12.32540000    4.93920200
 H                  4.01487000    9.41051300   -5.25331900
 C                  3.78806500    7.02437200   -1.81841500
 H                  4.79466400    7.35366300   -1.54417900
 H                  3.11819000    7.23652900   -0.97941100
 H                  3.79741500    5.94723900   -2.01260700
 H                  1.22322400    7.80551800   -2.60061200
 H                  4.51177400    8.12554800   -6.33722800
 C                  2.07898600    7.02836800   -6.87125400
 C                  1.07638000    7.13824200   -7.75756900
 H                  0.46662300    8.04004700   -7.81803400
 H                  0.82145500    6.32496000   -8.43670100
 C                  2.92079200    5.77671300   -6.82900900
 H                  3.98464700    6.00872800   -6.97583800
 H                  2.82806300    5.27345900   -5.86063700
 H                  2.61261500    5.07731200   -7.61536700
   
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        


