%chk=Al-ephx-pdto-1_opt.chk
%nprocshared=8
%mem=18GB
#p opt freq=noraman b3lyp/gen pseudo=read nosymm

Al-ephx-pdto-1_opt

0 1
N                  1.57875100   11.93978200   -0.33019000
O                  3.67002000   10.06580100   -0.01722000
O                  0.69453800    9.25583900   -0.46736700
O                  1.53715700   10.66025200    2.18142800
Cl                 6.06405500    8.75382000   -1.19161900
Cl                 6.90574100   13.68589600   -3.40273700
Cl                -1.56229600    7.35981600   -0.86402500
Cl                -3.32908100   11.17906400   -4.35966200
Cl                 1.83774200   10.77909100    5.13018900
Cl                 0.00332600   15.89586700    4.47018200
C                  2.81494900   12.78497700   -0.22546800
H                  3.04029700   12.87422700    0.84072300
H                  2.58461600   13.79236300   -0.59301100
C                  4.01208800   12.23722300   -0.95980500
C                  4.38478400   10.88945100   -0.76419700
C                  5.55711100   10.44709600   -1.40478300
C                  6.33034500   11.27989200   -2.19913700
H                  7.22422700   10.90309900   -2.67561200
C                  5.92508600   12.59590700   -2.37120300
C                  4.77737900   13.08050100   -1.76656800
H                  4.48334100   14.11235500   -1.91377800
C                  1.21294600   11.75370200   -1.77351000
H                  2.06621300   11.26541000   -2.25129000
H                  1.10389400   12.74027800   -2.24027700
C                 -0.03757700   10.94120600   -2.00199700
C                 -0.18719500    9.69855400   -1.34573900
C                 -1.32950400    8.94178900   -1.66324900
C                 -2.28404200    9.36897000   -2.57271700
H                 -3.14773800    8.75624700   -2.78846900
C                 -2.10337700   10.59934000   -3.18814500
C                 -0.99794100   11.38691000   -2.91068400
H                 -0.87792200   12.34154900   -3.40782800
C                  0.44999800   12.61606600    0.38675500
H                 -0.42589200   11.97331600    0.26487700
H                  0.22612600   13.56214900   -0.12148600
C                  0.68916000   12.87372400    1.85410000
C                  1.17443900   11.82994900    2.67275800
C                  1.25588300   12.08474200    4.05340200
C                  0.90444500   13.30164500    4.61535300
H                  0.98757200   13.45873700    5.68137600
C                  0.45265700   14.30768100    3.77288700
C                  0.34312500   14.10734000    2.40622300
H                 -0.02207600   14.90595900    1.77245700
Al                 1.97028400   10.02218900    0.54807700
C                  0.03254600    7.05059300    3.68052000
C                  1.10845600    5.95764300    3.61729700
C                 -1.39460100    6.58505800    3.50699500
H                  0.14911100    7.67102600    4.57198600
H                  1.51758700    5.68476200    4.58751100
H                  0.77230600    5.06639100    3.08305600
H                 -1.51061600    6.03520800    2.57104000
H                 -1.67367800    5.93293800    4.33918200
O                  0.41880600    7.89923700    2.55438000
C                  1.66546000    7.63274200    2.21554700
O                  2.32048100    8.27027700    1.41097300
O                  2.16401000    6.57404200    2.84161100
C                 -2.35627491    7.78780349    3.49333572
H                 -2.07571259    8.47753510    4.26174647
H                 -2.30561675    8.27417652    2.54161358
C                 -3.79465833    7.29783708    3.74350779
H                 -3.90265359    7.01831807    4.77069139
H                 -3.99665839    6.45170519    3.12048549
C                 -4.78687964    8.42796653    3.41198963
H                 -4.43336332    9.34711307    3.83043420
H                 -4.87104556    8.52857999    2.35006071
H                 -5.74563030    8.19342600    3.82513356   

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

