%chk=LO-scan2a2-trans.chk
%nprocshared=8
%mem=22GB
#p opt=modredundant b97d3/gen pseudo=read nosymm

LO-scan2a2-trans

-1 1
 N                  1.69241300   12.11631300   -0.14433000
 O                  3.55866000   10.20415800   -0.88274800
 O                  0.87634400    9.50681000   -1.19678400
 O                  0.73763600   11.79935400   -2.79716600
 C                  2.96472800   12.88962500    0.06209700
 H                  3.18993700   13.35785300   -0.90463400
 H                  2.76704400   13.70085500    0.78129500
 C                  4.11384000   12.05103900    0.55826100
 C                  4.33113900   10.74426900    0.04539500
 C                  5.37835200    9.96311200    0.61705900
 C                  6.20036000   10.52351600    1.59576100
 H                  6.99829700    9.90797500    2.01737100
 C                  6.02403500   11.83261300    2.07511000
 C                  4.95437800   12.56587200    1.55379800
 H                  4.75700500   13.57042800    1.93477200
 C                  1.36391100   11.26195400    1.05199100
 H                  2.22052000   10.60390700    1.21484000
 H                  1.27588500   11.91853300    1.93213900
 C                  0.10449400   10.45214400    0.87863400
 C                 -0.03801200    9.58956900   -0.24022000
 C                 -1.20715000    8.78400300   -0.33761400
 C                 -2.18260200    8.86623800    0.65638700
 H                 -3.07700600    8.24612200    0.56159600
 C                 -2.06234200    9.72685400    1.76214700
 C                 -0.90887500   10.51222500    1.84575700
 H                 -0.78375200   11.19296400    2.69051700
 C                  0.55832600   13.07582900   -0.35833200
 H                 -0.34678400   12.45898100   -0.38599100
 H                  0.49740300   13.73685100    0.52178700
 C                  0.66144300   13.86689200   -1.62434800
 C                  0.69063200   13.12689700   -2.83214400
 C                  0.64818700   13.83621300   -4.06224100
 C                  0.61157100   15.23333700   -4.03755300
 H                  0.58874200   15.76763900   -4.99034200
 C                  0.61835100   15.97664200   -2.84448100
 C                  0.64105200   15.26495300   -1.63942200
 H                  0.62655600   15.80552000   -0.69022300
 Al                 2.02443500   10.83530800   -1.78743300
 C                  3.40069700   11.03464300   -3.99824200
 O                  3.39215800   11.85857900   -3.05981000
 O                  3.81664600   10.97858600   -5.12942700
 O                  2.58061600    9.84589400   -3.40271800
 C                  2.25238800    8.46480600   -3.74867400
 C                  2.06583800    8.26500500   -5.25934000
 C                  3.20099700    7.45578200   -3.07832900
 H                  1.27452400    8.35626700   -3.27472600
 C                  3.36795600    7.99878400   -5.99123300
 C                  4.44284900    6.93320700   -3.85828900
 H                  3.49543800    7.88373200   -2.11547000
 H                  2.57373800    6.58503900   -2.85630300
 C                  4.19944400    6.85849700   -5.39503800
 H                  3.15306200    7.79415000   -7.04833200
 H                  3.91124100    8.95032000   -5.94850400
 H                  4.56611900    5.89035400   -3.53738400
 H                  3.67683600    5.91774600   -5.60600400
 H                  5.17001000    6.80808700   -5.90547100
 C                  1.18038700    9.30716200   -5.90993300
 H                  0.27673100    9.47761300   -5.31790300
 H                  1.73655900   10.24543000   -5.97698000
 H                  0.90080000    8.98686500   -6.91914400
 Cl                 1.01700000    6.59939400   -5.34528900
 C                  5.76249700    7.59968700   -3.49302200
 C                  6.80399600    6.83499800   -3.12436700
 H                  6.72183300    5.74979400   -3.06075700
 H                  7.76742300    7.27369800   -2.86594300
 C                  5.87898700    9.09644500   -3.53994800
 H                  5.64672600    9.49213700   -4.53405000
 H                  5.17217900    9.55862600   -2.83991100
 H                  6.88878600    9.42188800   -3.26502200
 C                 -3.14851200    9.79973600    2.81164300
 H                 -4.11020100   10.11676000    2.38080100
 H                 -3.31801700    8.82404900    3.29141200
 H                 -2.88716500   10.51571200    3.60081800
 C                 -1.35220600    7.88091200   -1.53420600
 H                 -1.31476000    8.46178800   -2.46548600
 H                 -0.52388000    7.16195000   -1.59216900
 H                 -2.29768600    7.32585100   -1.50087800
 C                  5.53864500    8.53090700    0.18083400
 H                  4.57720400    8.00347300    0.23547600
 H                  5.87140000    8.44888900   -0.85938600
 H                  6.26633600    8.00716800    0.81328700
 C                  0.67697200   13.06831800   -5.35707600
 H                  1.68045200   12.66584500   -5.54987700
 H                 -0.00403900   12.21057700   -5.31605300
 H                  0.39847500   13.70954700   -6.20305800
 C                  0.63176900   17.48858700   -2.86885300
 H                  1.63470600   17.88450300   -3.09385100
 H                 -0.05005700   17.88651100   -3.63347200
 H                  0.32690500   17.90453900   -1.89978600
 C                  6.95420600   12.41807800    3.11288800
 H                  7.89475400   12.77565800    2.66455700
 H                  6.49218800   13.27240300    3.62463800
 H                  7.22403500   11.67548600    3.87684100
 
A 3 38 40 S 7 -9.80000

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        


