%chk=Al-ephx-int2b-1_opt.chk
%nprocshared=8
%mem=24GB
#p opt freq=noraman b3lyp/gen pseudo=read nosymm

Al-ephx-int2b-1_opt

-1 1
N                  1.56292600   11.84829300   -0.24417500
O                  3.59339800    9.91373500   -0.22035400
O                  0.56983800    9.23636500   -0.43540000
O                  1.78166300   10.58324900    2.22048100
Cl                 5.90091600    8.66691400   -1.62528500
Cl                 6.81339800   13.78222300   -3.34602000
Cl                -1.74706500    7.41177400   -0.90970200
Cl                -3.40554800   11.40746600   -4.25708700
Cl                 2.40169000   10.75760200    5.12769800
Cl                 0.14283800   15.72325600    4.66480000
C                  2.80264900   12.66661000   -0.12407400
H                  3.07700000   12.67326900    0.93339200
H                  2.58149800   13.70613400   -0.40679500
C                  3.96202800   12.16189400   -0.94500600
C                  4.29387300   10.78501400   -0.89751900
C                  5.43183100   10.38712200   -1.63492700
C                  6.20157000   11.27524500   -2.37022300
H                  7.06423200   10.92386600   -2.91831300
C                  5.83240800   12.61185800   -2.38779400
C                  4.72389600   13.06126100   -1.69121100
H                  4.45303700   14.10966200   -1.72140200
C                  1.16837500   11.74378900   -1.67581900
H                  1.99160100   11.24863500   -2.19656000
H                  1.07953100   12.75368600   -2.10262200
C                 -0.10912400   10.98288500   -1.91868600
C                 -0.29004900    9.72558600   -1.29102400
C                 -1.46074900    9.01572400   -1.63876500
C                 -2.40365100    9.50416500   -2.53028200
H                 -3.28560800    8.92422700   -2.76232100
C                 -2.18693900   10.74703500   -3.10526400
C                 -1.05644800   11.48884500   -2.80829200
H                 -0.90452200   12.45554200   -3.27288700
C                  0.45861800   12.47800400    0.53256700
H                 -0.40013400   11.80528400    0.45945800
H                  0.16724100   13.42257000    0.05031600
C                  0.77859200   12.73743900    1.98237300
C                  1.40245400   11.71865400    2.74333500
C                  1.61110500   11.99650800    4.11235600
C                  1.23377200   13.19018900    4.70715000
H                  1.41311100   13.35600100    5.75989800
C                  0.63107000   14.15785500    3.91733800
C                  0.40603300   13.94724500    2.56751800
H                 -0.06407700   14.71882200    1.96996100
Al                 1.97934700    9.75014900    0.60611800
C                 -0.35162200    7.10989700    3.36946400
C                  0.32026500    7.05184300    4.74110000
C                 -0.78321900    5.76074200    2.80228900
H                 -1.22237100    7.76440600    3.44103100
H                  0.72322000    8.02177000    5.01669400
H                  1.07292100    6.27683400    4.81318000
I                 -1.13321300    6.60212800    6.36252100
H                  0.07287624    5.09358131    2.71089086
H                 -1.53409620    5.30196266    3.45004095
O                  0.50257900    7.83802300    2.46244600
C                  1.75835300    7.33627500    2.15440500
O                  2.36347500    8.09353500    1.30676900
O                  2.18071100    6.31345900    2.65356500
C                 -1.40104558    5.97604352    1.40818155
H                 -2.24210632    6.63262115    1.48832291
H                 -0.67070120    6.40977139    0.75750712
C                 -1.85952312    4.62212013    0.83521574
H                 -2.60055218    4.19522865    1.47828618
H                 -1.02111267    3.96064185    0.76877477
C                 -2.45815678    4.83463603   -0.56766513
H                 -3.03574500    3.97692301   -0.84265645
H                 -3.08685659    5.70041550   -0.55976239
H                 -1.66780232    4.97422666   -1.27530506
   
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        
****
I     0 
S   2   1.00
      0.7242000             -2.9731048        
      0.4653000              3.4827643        
S   1   1.00
      0.1336000              1.0000000        
P   2   1.00
      1.2900000             -0.2092377        
      0.3180000              1.1035347        
P   1   1.00
      0.1053000              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        
I     0
I-ECP     3     46
f   potential
  5
0      1.0715702             -0.0747621        
1     44.1936028            -30.0811224        
2     12.9367609            -75.3722721        
2      3.1956412            -22.0563758        
2      0.8589806             -1.6979585        
s-f potential
  5
0    127.9202670              2.9380036        
1     78.6211465             41.2471267        
2     36.5146237            287.8680095        
2      9.9065681            114.3758506        
2      1.9420086             37.6547714        
p-f potential
  5
0     13.0035304              2.2222630        
1     76.0331404             39.4090831        
2     24.1961684            177.4075002        
2      6.4053433             77.9889462        
2      1.5851786             25.7547641        
d-f potential
  5
0     40.4278108              7.0524360        
1     28.9084375             33.3041635        
2     15.6268936            186.9453875        
2      4.1442856             71.9688361        
2      0.9377235              9.3630657    

