%chk=Scan3b-trans.chk
%nprocshared=12
%mem=22GB
#p opt=modredundant b97d3/gen pseudo=read nosymm

Scan3b-trans

-1 1
 Al                -1.24286700    7.68838300   -6.93837400
 N                 -0.14921200    9.36785900   -7.66349400
 O                 -0.20096300    6.55825000   -7.92102100
 O                 -0.92560900    8.23248200   -5.24994400
 O                 -1.99706700    6.07181000   -6.10533400
 O                 -2.77591800    8.26139100   -7.74443600
 C                  0.84573100    6.72544900   -8.73956600
 C                  1.63317900    5.59543900   -9.08177800
 C                  2.75027500    5.76673600   -9.90276300
 C                  3.13356700    7.02050700  -10.40595500
 C                  2.32877800    8.11684400  -10.08360200
 C                  1.18661200    7.98497000   -9.28302600
 H                  3.34861200    4.88875100  -10.15332000
 H                  2.58161900    9.10406400  -10.47427700
 C                 -3.03552500    9.33558900   -8.50623500
 C                 -2.21948600   10.49239200   -8.49864500
 C                 -2.52574300   11.57332800   -9.33588200
 C                 -3.63760300   11.56400200  -10.18211900
 C                 -4.43866700   10.41157100  -10.17879400
 C                 -4.16171500    9.30732100   -9.36956500
 C                  1.06459700    9.55488700   -6.79187400
 H                 -1.87085700   12.44595900   -9.31723200
 H                 -5.30798400   10.36588100  -10.83743000
 C                 -0.30353500    9.28979300   -4.70844500
 C                  0.70932500    9.98469500   -5.39899300
 C                  1.34366400   11.07683900   -4.79281100
 C                  1.00103800   11.49503200   -3.50518000
 C                 -0.02815800   10.80395700   -2.84473600
 C                 -0.69560800    9.72300900   -3.42002100
 C                  0.27448900    9.16100400   -9.07984700
 H                  2.12757400   11.60259300   -5.34062200
 H                 -0.31813600   11.11680200   -1.84118600
 C                 -1.03418600   10.57399300   -7.57990800
 H                 -1.35367100   10.65736900   -6.53554000
 H                 -0.43549500   11.46988000   -7.80750300
 H                  0.75806400   10.08345300   -9.44121400
 H                  1.59827500    8.59662600   -6.79932100
 H                  1.72199200   10.30062300   -7.26589200
 H                 -0.64503700    9.03117300   -9.66398100
 C                 -2.40265100    4.92357500   -6.31630700
 O                 -2.04996500    3.85378000   -5.66194200
 Al                -0.25449100    5.72599900   -0.97813500
 N                  0.46400800    7.04824500    0.70763500
 O                  0.73610100    6.78772000   -2.10316400
 O                  0.59696400    4.35948800   -0.09760500
 O                 -0.87282600    4.55791300   -2.22180600
 O                 -1.95801000    6.31230100   -0.53012500
 C                  1.61626600    7.77937200   -1.97891000
 C                  2.54160600    8.01753500   -3.03003500
 C                  3.48337500    9.03656500   -2.89054900
 C                  3.56787500    9.83784300   -1.74027000
 C                  2.63384900    9.60924500   -0.72680000
 H                  4.18037000    9.21301200   -3.71200100
 H                  2.65300700   10.22517600    0.17467400
 C                 -2.50722200    7.19815500    0.29582600
 C                 -1.84632500    7.62815900    1.46928800
 C                 -2.43110600    8.60010200    2.29015500
 C                 -3.68144900    9.15407300    1.99785800
 C                 -4.34147600    8.69448800    0.84550800
 C                 -3.79107100    7.73123000   -0.00324900
 C                  1.79044900    6.57652600    1.20997700
 H                 -1.89090000    8.92929600    3.17993800
 H                 -5.32048300    9.10867100    0.59501400
 C                  1.16459200    4.15678200    1.08144500
 C                  1.74633700    5.20852900    1.82517200
 C                  2.30075600    4.95436700    3.08621000
 C                  2.32325200    3.66674600    3.63185500
 C                  1.76884600    2.62424600    2.86657600
 C                  1.19692300    2.83702900    1.61115100
 C                  0.60193800    8.45196900    0.21579000
 H                  2.72900200    5.78632100    3.64913600
 H                  1.78021000    1.60845400    3.26847200
 C                 -0.52631000    7.00738700    1.82429100
 H                 -0.65315800    5.95083400    2.09083100
 H                 -0.09468000    7.51528000    2.70430600
 H                  0.81716400    9.11285300    1.07367300
 H                  2.46899900    6.58848300    0.34836500
 H                  2.17516800    7.31095500    1.93918700
 H                 -0.37737900    8.74378200   -0.17835800
 C                 -1.75652500    4.69715900   -3.27508300
 C                 -3.23869200    2.63735400   -2.63313700
 H                 -1.86315100    5.74104400   -3.61492600
 C                 -1.10664500    3.87503400   -4.42448700
 C                 -1.05232400    2.40700300   -4.00855800
 C                 -2.42349300    1.81350800   -3.67010400
 H                 -0.40888400    2.40016800   -3.12175800
 H                 -2.29115400    0.78333900   -3.32031200
 H                 -3.00879200    1.73935100   -4.59228200
 O                 -3.30291700    4.75327100   -7.28730000
 C                 -4.99814800    4.05265300   -8.63883800
 C                 -3.97330400    3.46362200   -7.64712400
 H                 -4.47425900    4.56779900   -9.44440300
 C                 -6.53308000    4.54447800   -6.58099000
 C                 -4.67850800    2.79926100   -6.43999600
 C                 -6.18693100    3.05961200   -6.33831300
 H                 -4.18887900    3.14292900   -5.53114100
 H                 -6.72531600    2.45276500   -7.07238300
 H                 -6.53235800    2.73925600   -5.34941500
 C                 -1.81762000    9.00553800   -2.72793000
 H                 -2.72404000    9.01696900   -3.34799500
 H                 -1.56135400    7.95438400   -2.56991900
 H                 -2.05208400    9.45720500   -1.75857900
 C                  1.69354700   12.65746500   -2.83600000
 H                  0.99931100   13.49067900   -2.65081200
 H                  2.11158200   12.35389900   -1.86810500
 H                  2.51695900   13.03795400   -3.45246600
 C                 -3.97857500   12.75033700  -11.05467000
 H                 -4.25482100   12.43686500  -12.07067800
 H                 -4.82894900   13.31864100  -10.64858400
 H                 -3.13022300   13.44096800  -11.13461900
 C                  4.37802600    7.17306200  -11.25046900
 H                  5.29164100    7.06661900  -10.64654600
 H                  4.42378200    6.41173100  -12.04142700
 H                  4.41338500    8.15849700  -11.73083400
 C                  1.24745300    4.24062500   -8.55039100
 H                  1.47700900    4.16001900   -7.48110600
 H                  0.16799900    4.07493300   -8.64802000
 H                  1.78380700    3.44341900   -9.07869200
 C                 -5.03430100    8.08382100   -9.38794300
 H                 -4.42497800    7.17700700   -9.48055300
 H                 -5.59258800    7.99484900   -8.44657000
 H                 -5.75604200    8.11851900  -10.21237600
 C                  2.46870100    7.16872100   -4.26834400
 H                  2.69217800    6.11775000   -4.04211700
 H                  1.45506600    7.18552100   -4.68030600
 H                  3.17403600    7.52096700   -5.03069300
 C                  0.61750700    1.72004100    0.78356000
 H                 -0.39560300    1.96845200    0.44826600
 H                  1.20528300    1.57359200   -0.13404900
 H                  0.60073000    0.77682200    1.34422100
 C                  4.63794300   10.89751400   -1.61443900
 H                  5.64255800   10.45384000   -1.54121900
 H                  4.64372800   11.56884200   -2.48476000
 H                  4.48368000   11.51363000   -0.71969000
 C                 -4.53222200    7.23604900   -1.21778100
 H                 -3.86924100    7.17223200   -2.08559800
 H                 -4.92377700    6.22247700   -1.05006400
 H                 -5.37730100    7.89260800   -1.45864100
 C                 -4.30859100   10.20724700    2.88328700
 H                 -4.54418400   11.12174000    2.31959100
 H                 -5.24947200    9.85441900    3.33167100
 H                 -3.63535700   10.48619300    3.70315000
 C                  2.92149900    3.39452000    4.99398700
 H                  2.18720500    2.94248600    5.67738100
 H                  3.77331400    2.70037900    4.93374300
 H                  3.28143700    4.32032400    5.45984300
 C                  0.24624900    4.40296600   -4.84623100
 H                  0.17602500    5.40412000   -5.26813300
 H                  0.85570400    4.45880100   -3.94170500
 H                  0.71594900    3.72763400   -5.56976400
 H                 -0.56322600    1.81561000   -4.79578900
 C                 -3.16472900    4.14876200   -2.95233900
 H                 -3.82118800    4.36074100   -3.80680500
 H                 -3.55773300    4.73331100   -2.11897300
 H                 -4.49632400    1.72017800   -6.49467500
 C                 -6.03470700    4.96611100   -7.98839500
 H                 -6.87690900    5.06581800   -8.67999300
 H                 -5.56781500    5.94910800   -7.93587000
 C                 -2.92395100    2.57073000   -8.30042400
 H                 -2.41696800    3.10909300   -9.10927400
 H                 -2.18480900    2.26989300   -7.55357000
 H                 -3.40090500    1.67806800   -8.71314900
 C                  1.65583600    8.61278300   -0.83819700
 Cl                -5.84337100    2.62737600   -9.57075100
 C                 -6.08173600    5.43274900   -5.41911700
 C                 -5.21986100    6.45620400   -5.50711100
 C                 -6.70752700    5.08586900   -4.08510200
 H                 -4.70467800    6.74826500   -6.41573100
 H                 -4.96706200    7.03584200   -4.62123400
 H                 -7.79471600    4.94451600   -4.17978100
 H                 -6.29792900    4.15191600   -3.67555200
 H                 -6.51922400    5.87076900   -3.34677300
 H                 -7.63245900    4.60979800   -6.58716000
 C                 -2.98150500    2.24350000   -1.17920800
 C                 -2.81690700    3.11599500   -0.17687400
 C                 -3.03107200    0.75857300   -0.88582000
 H                 -2.71867100    2.76016900    0.84898700
 H                 -2.72952400    4.18441000   -0.33220200
 H                 -3.88061200    0.27174700   -1.39022500
 H                 -2.12053400    0.24804300   -1.23233000
 H                 -3.11852900    0.57659300    0.19111400
 H                 -4.29132000    2.33456400   -2.79549700
 
B 83 46 S 5 -0.09300

C,H,O,N 0
6-31G*
****
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        


