%chk=Int4b-trans.chk
%nprocshared=8
%mem=22GB
#p opt freq=noraman b97d3/gen pseudo=read nosymm

Int4b-trans

-1 1
 N                  1.51289900   12.38992000   -0.13957900
 O                  2.78898100   10.02691400    0.55453100
 O                  0.38707400    9.71680000   -0.71944400
 O                  1.45656500   11.27940200   -2.72978400
 C                  2.79441000   12.98186700    0.36160100
 H                  3.43816300   13.09921600   -0.51877600
 H                  2.57903000   13.99144400    0.74962100
 C                  3.47945000   12.17216400    1.43599400
 C                  3.46976600   10.75008900    1.43663700
 C                  4.16897300   10.07915200    2.48370900
 C                  4.83917000   10.81649700    3.45922900
 H                  5.36120500   10.27482900    4.25117300
 C                  4.84732600   12.22094800    3.47138000
 C                  4.15166600   12.87018000    2.44974700
 H                  4.12322000   13.96199200    2.43458700
 C                  0.58485800   12.08402000    0.99686100
 H                  1.12409700   11.41603000    1.67232300
 H                  0.38350100   13.02016300    1.54130900
 C                 -0.71187700   11.45113000    0.56488900
 C                 -0.72419300   10.26518600   -0.22394200
 C                 -1.98364500    9.63697500   -0.45508600
 C                 -3.15204800   10.21776100    0.04369300
 H                 -4.10221800    9.71791100   -0.15678100
 C                 -3.15370200   11.41398000    0.77585100
 C                 -1.91360900   12.00507300    1.02646500
 H                 -1.86728600   12.92399600    1.61431800
 C                  0.83520500   13.36470500   -1.06417600
 H                 -0.13758900   12.91852700   -1.29813100
 H                  0.66303100   14.30040200   -0.50815000
 C                  1.60381400   13.61252300   -2.32437300
 C                  1.87848900   12.47925700   -3.12833400
 C                  2.61152400   12.66022000   -4.33038700
 C                  2.99856200   13.95348900   -4.69560600
 H                  3.56706600   14.08115700   -5.61994400
 C                  2.71778200   15.08601200   -3.91230700
 C                  2.02576400   14.88811300   -2.71166500
 H                  1.80600800   15.74040900   -2.06493100
 Al                 2.00233100   10.58618700   -1.06745700
 C                  4.24184200    9.78250500   -2.29330500
 O                  3.84218500   10.85583200   -1.72993300
 O                  5.27549100    9.48682400   -2.85170700
 C                 -4.44376700   12.04137000    1.25215200
 H                 -4.95534300   12.58692900    0.44369300
 H                 -5.14666700   11.28311700    1.62412300
 H                 -4.26174000   12.75653300    2.06448100
 C                 -2.04782200    8.33640200   -1.21105600
 H                 -1.65208100    8.44035000   -2.22733100
 H                 -1.44598900    7.56444800   -0.71672600
 H                 -3.08244200    7.97880500   -1.28031900
 C                  4.15878500    8.57495000    2.51437900
 H                  3.13177900    8.18807400    2.50880600
 H                  4.64697100    8.16286100    1.62299500
 H                  4.67724000    8.19589000    3.40362900
 C                  3.02262200   11.45673000   -5.13700300
 H                  3.99276700   11.07596100   -4.78705900
 H                  2.29990000   10.64929300   -5.00791400
 H                  3.11919500   11.70070800   -6.20323600
 C                  3.14193300   16.46655100   -4.36069000
 H                  4.16394000   16.46205100   -4.76459800
 H                  2.48431700   16.86065900   -5.15165600
 H                  3.11503100   17.18029300   -3.52733100
 C                  5.58865500   12.99014900    4.54084400
 H                  6.67907500   12.94800200    4.39298700
 H                  5.29844600   14.04853700    4.54094200
 H                  5.38509600   12.58718600    5.54339000
 O                  3.15545800    8.80422600   -2.19620700
 C                  3.51143000    7.46850600   -2.64079800
 H                  4.58376100    7.37542600   -2.45939300
 C                  2.76021400    6.45439300   -1.75557200
 C                  3.26855000    7.24333700   -4.13910900
 O                  3.22016500    5.07735700   -2.18932200
 C                  1.27634200    6.46678600   -2.09399000
 C                  3.00255600    6.63397900   -0.26816400
 C                  1.80836200    6.95059500   -4.60484800
 H                  3.91234200    6.40264500   -4.42428900
 H                  3.67095600    8.11517300   -4.66486800
 C                  4.50565400    4.72244600   -2.06983400
 C                  0.98076000    6.15222600   -3.56391300
 H                  0.90904700    7.45670900   -1.80737300
 H                  0.75903600    5.74161800   -1.45083800
 H                  4.06889500    6.61771400   -0.04069200
 H                  2.59398700    7.59306300    0.05779200
 H                  2.50219300    5.82790700    0.28344800
 O                  5.40777500    5.33159800   -1.54609100
 O                  4.77764100    3.50732800   -2.62637300
 H                 -0.08471800    6.31761600   -3.76216700
 H                  1.16536500    5.08431800   -3.72177200
 C                  3.84717300    2.62889700   -3.37649300
 C                  4.90770100    1.60855500   -3.84721000
 C                  3.17763600    3.33971900   -4.57919300
 C                  2.83681400    2.04935400   -2.39097000
 H                  5.40492800    1.18097500   -2.97636500
 C                  5.92706600    2.17831800   -4.83409700
 Cl                 4.04456200    0.08136500   -4.58935500
 C                  3.82430700    3.06047000   -5.94156500
 H                  3.18180000    4.40931700   -4.38002300
 H                  2.12388900    3.04069300   -4.61363900
 H                  3.35617000    1.59878900   -1.53690700
 H                  2.18532200    2.84987900   -2.03080400
 H                  2.22939900    1.28271300   -2.87972300
 C                  5.36584800    3.17068900   -5.89178200
 H                  6.41573500    1.33592000   -5.33389100
 H                  6.69851200    2.66395500   -4.22968600
 H                  3.55972400    2.05577900   -6.28470000
 H                  3.41450900    3.76151400   -6.67722100
 C                  5.81712700    4.62526600   -5.75899000
 H                  5.72996800    2.83837600   -6.87640100
 C                  6.48113400    5.14289600   -4.71656000
 C                  5.45549300    5.50518100   -6.93651900
 H                  6.72498600    4.58070100   -3.82221000
 H                  6.76042200    6.19488500   -4.70571800
 H                  5.72738500    5.02793000   -7.88990200
 H                  4.37519500    5.70344000   -6.97621800
 H                  5.96158200    6.47357200   -6.87361100
 C                  1.12634300    8.19903500   -5.14516300
 C                  0.32085800    8.98594200   -4.42501100
 C                  1.46767700    8.51706400   -6.58177000
 H                 -0.10874700    9.89211600   -4.84494200
 H                  0.11989600    8.81522600   -3.37479600
 H                  2.55482000    8.62674700   -6.71432000
 H                  1.14920600    7.70172600   -7.25124400
 H                  0.99449500    9.44700300   -6.91469900
 H                  1.91180100    6.28283900   -5.47589400
   
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        


