%chk=LO-scan2a1-cis.chk
%nprocshared=12
%mem=22GB
#p opt=modredundant b97d3/gen pseudo=read nosymm

LO-scan2a1-cis

-1 1
 N                  1.61844300   12.07348000   -0.14995000
 O                  3.39417500   10.06145200   -0.83637500
 O                  0.67894900    9.50758200   -1.18870100
 O                  0.72578300   11.78389300   -2.82610900
 C                  2.91145200   12.80172100    0.06977000
 H                  3.14817100   13.28490700   -0.88733400
 H                  2.73806900   13.60443700    0.80567100
 C                  4.04980000   11.93041000    0.53636000
 C                  4.23842800   10.62409600    0.01165300
 C                  5.36202600    9.87119400    0.46518600
 C                  6.23830700   10.42951700    1.39511100
 H                  7.09149800    9.83386600    1.72789900
 C                  6.05811500   11.71952000    1.92424500
 C                  4.94849900   12.44391700    1.48177600
 H                  4.77050400   13.44573500    1.87915900
 C                  1.25274000   11.24616500    1.05272500
 H                  2.08285200   10.55493700    1.21858400
 H                  1.19247200   11.91484100    1.92632200
 C                 -0.03906200   10.48708300    0.88955200
 C                 -0.22270500    9.62693200   -0.22508700
 C                 -1.42242900    8.86567100   -0.31098500
 C                 -2.38619200    8.98794100    0.69027300
 H                 -3.30394000    8.40146100    0.60460700
 C                 -2.22475600    9.84672100    1.79223300
 C                 -1.04189400   10.58829700    1.86413800
 H                 -0.88421600   11.26567300    2.70614800
 C                  0.52457500   13.07376800   -0.39087900
 H                 -0.40322000   12.49246600   -0.43564600
 H                  0.46991000   13.74092500    0.48506000
 C                  0.69362600   13.85540400   -1.65718900
 C                  0.74524000   13.11066900   -2.86061400
 C                  0.80254400   13.81201000   -4.09439300
 C                  0.81905000   15.20888900   -4.07925500
 H                  0.87242300   15.73833700   -5.03352200
 C                  0.78823400   15.95782200   -2.88910800
 C                  0.72769100   15.25365400   -1.68097200
 H                  0.69267300   15.80131800   -0.73645400
 Al                 1.91285700   10.75849200   -1.77664500
 C                  3.50397000   10.67230900   -3.84376700
 O                  3.40889500   11.61442800   -3.02486500
 O                  4.14547100   10.41920000   -4.83545800
 O                  2.42221400    9.67976600   -3.35247900
 C                  2.18868100    8.26623300   -3.59269400
 C                  1.79684800    8.01257000   -5.06306100
 C                  3.32874500    7.39051100   -3.07534500
 H                  1.30256100    8.09292700   -2.97803700
 C                  2.97235600    7.75095900   -5.99382700
 C                  4.52288300    7.28260100   -4.04151800
 H                  3.63423600    7.80149200   -2.10895900
 H                  2.90608100    6.39281300   -2.90185200
 C                  4.02430600    6.79397500   -5.42038400
 H                  2.59312600    7.39065900   -6.95841100
 H                  3.43755200    8.73192700   -6.15373500
 H                  3.59270900    5.78807300   -5.33270900
 H                  4.87391000    6.72989300   -6.11319000
 C                  0.81316200    9.03642200   -5.59323000
 H                 -0.00885500    9.19372700   -4.88954800
 H                  1.33478900    9.99054600   -5.71800000
 H                  0.41480400    8.71604100   -6.56182700
 Cl                 0.79744100    6.32726800   -4.96431100
 C                 -3.29730100    9.96101300    2.85208900
 H                 -4.25631300   10.29299800    2.42674400
 H                 -3.48353400    8.99716100    3.34947600
 H                 -3.01069900   10.68300600    3.62687200
 C                 -1.61037700    7.96362800   -1.50238800
 H                 -1.55152500    8.53735000   -2.43687500
 H                 -0.81414600    7.20953800   -1.56143900
 H                 -2.57834100    7.44918800   -1.46202800
 C                  5.56481800    8.48292800   -0.07994300
 H                  4.67859500    7.85875500    0.09833100
 H                  5.71528200    8.49858900   -1.16662000
 H                  6.43557400    7.99942200    0.38009100
 C                  0.88017100   13.02372000   -5.37469500
 H                  1.84065800   12.49509500   -5.44358500
 H                  0.09760000   12.25572000   -5.40862900
 H                  0.78091400   13.67709800   -6.25063300
 C                  0.85075100   17.46852900   -2.92037700
 H                  1.86252100   17.83088800   -3.16102500
 H                  0.17137600   17.88623700   -3.67699100
 H                  0.57230700   17.89704100   -1.94902700
 C                  7.03667200   12.29790000    2.92115000
 H                  7.99621700   12.55941100    2.44807100
 H                  6.63947100   13.21146800    3.38185000
 H                  7.26062100   11.58646600    3.72919200
 H                  4.93727400    8.28565700   -4.18667500
 C                  5.63414300    6.40448700   -3.49755000
 C                  6.89943000    6.84848400   -3.45872400
 H                  7.15365200    7.85479600   -3.78838500
 H                  7.71304000    6.22695900   -3.08421300
 C                  5.27220200    5.02296900   -3.00745500
 H                  4.65234200    5.08060500   -2.10207200
 H                  4.68599900    4.47062500   -3.75472600
 H                  6.16872400    4.43940400   -2.76863800
 
B 42 39 S 5 0.09100

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        


