%chk=Scan4b-cis.chk
%nprocshared=12
%mem=22GB
#p opt=modredundant b97d3/gen pseudo=read nosymm

Scan4b-cis

-1 1
 N                  1.52468500   12.21820600   -0.08655500
 O                  2.99329500    9.94694800    0.46137500
 O                  0.53529300    9.53013100   -0.70247700
 O                  1.40080200   11.12462100   -2.74117900
 C                  2.77675700   12.89949600    0.37236400
 H                  3.35602700   13.11108400   -0.53412100
 H                  2.49569200   13.86702700    0.82185500
 C                  3.60211200   12.10793500    1.35940600
 C                  3.70310900   10.69225600    1.29903700
 C                  4.57144300   10.03868600    2.22138100
 C                  5.28637000   10.78868900    3.15394900
 H                  5.94824700   10.26406900    3.84667400
 C                  5.18148200   12.18802700    3.23409800
 C                  4.32712100   12.81872800    2.32713600
 H                  4.22077100   13.90534400    2.36224500
 C                  0.68837600   11.80679000    1.09389300
 H                  1.30688700   11.13455700    1.69264900
 H                  0.47876500   12.70400800    1.69729900
 C                 -0.59926700   11.13495200    0.69966600
 C                 -0.58708400   10.01550300   -0.17672200
 C                 -1.83302600    9.40897900   -0.50517600
 C                 -3.01377700    9.90709500    0.04902300
 H                 -3.95637500    9.42714700   -0.22347500
 C                 -3.03582000   11.00563600    0.92307200
 C                 -1.81075300   11.60747500    1.22217800
 H                 -1.78733600   12.47546700    1.88405900
 C                  0.72794000   13.15649600   -0.94618100
 H                 -0.23270800   12.65822000   -1.11614200
 H                  0.53846500   14.07734900   -0.37086000
 C                  1.37431200   13.46483500   -2.26228500
 C                  1.63855400   12.37647200   -3.13006600
 C                  2.15430000   12.65340100   -4.42310200
 C                  2.39615900   13.97738100   -4.79507700
 H                  2.80354700   14.17189000   -5.78991800
 C                  2.15677100   15.06258900   -3.93376700
 C                  1.64491100   14.77807200   -2.66335500
 H                  1.44041400   15.59490700   -1.96788000
 Al                 2.08720600   10.48143100   -1.10187700
 C                  4.36603700    9.95529800   -2.25557900
 O                  3.89441000   11.03630900   -1.78959300
 O                  5.42425100    9.62206800   -2.73434500
 C                 -4.33249800   11.50475800    1.51862000
 H                 -5.12119000   11.58654900    0.75736600
 H                 -4.70942700   10.82824800    2.30148900
 H                 -4.20401000   12.49435100    1.97486600
 C                 -1.85429800    8.25110900   -1.46643700
 H                 -1.33593000    8.51216200   -2.39771500
 H                 -1.33059500    7.38045800   -1.05175800
 H                 -2.88389300    7.95651000   -1.70363300
 C                  4.69508000    8.54042100    2.14777700
 H                  3.72128300    8.05692900    2.30017400
 H                  5.03872600    8.22612300    1.15391600
 H                  5.39971500    8.16439000    2.89964900
 C                  2.45866300   11.49871400   -5.33587900
 H                  3.26257400   10.87787100   -4.91924000
 H                  1.58236200   10.84588500   -5.43936400
 H                  2.76652300   11.84528600   -6.33026000
 C                  2.46262400   16.47896000   -4.36620800
 H                  3.54195400   16.63426500   -4.51542600
 H                  1.96747000   16.73037800   -5.31570600
 H                  2.12637400   17.20328700   -3.61376100
 C                  5.97690100   12.97321300    4.25212900
 H                  7.05379700   12.96361100    4.02319700
 H                  5.65672500   14.02248100    4.28055000
 H                  5.86037300   12.56074700    5.26500500
 O                  3.25889200    8.95822800   -2.13472400
 C                  3.60033300    7.58889700   -2.47961300
 H                  4.60570300    7.41105100   -2.09514200
 C                  2.59772900    6.64201100   -1.78219500
 C                  3.59365000    7.40857400   -3.99925400
 O                  2.97141500    5.23100600   -2.18768800
 C                  1.20686100    6.82281600   -2.38058600
 C                  2.58927800    6.73215200   -0.26555500
 C                  2.18773500    7.55882000   -4.62901000
 H                  4.00633700    6.42066700   -4.23440500
 H                  4.29065800    8.14220000   -4.41066200
 C                  4.17841500    4.73011200   -1.89574200
 C                  1.16324800    6.67048400   -3.90406700
 H                  0.86415900    7.81486300   -2.07321500
 H                  0.52927800    6.09755500   -1.91131300
 H                  3.58619800    6.55375000    0.13891100
 H                  2.25907700    7.72348500    0.04966500
 H                  1.89338400    5.98461200    0.13592200
 C                  2.26480700    7.30969700   -6.12934500
 H                  1.89145200    8.60754000   -4.47436400
 O                  5.07183400    5.24507500   -1.26574400
 O                  4.36937800    3.47919700   -2.39981600
 H                  0.15399300    6.91295900   -4.26316500
 H                  1.34250400    5.62036900   -4.15376400
 C                  1.67365700    6.27129500   -6.74415000
 C                  3.07381900    8.30195600   -6.93130600
 C                  3.42620700    2.68713200   -3.22802800
 H                  1.77372000    6.13191300   -7.82031900
 H                  1.07038100    5.54022200   -6.21429500
 H                  2.64507900    9.30711800   -6.84527500
 H                  4.10660100    8.37064800   -6.56656300
 H                  3.10292300    8.02537100   -7.99152700
 C                  4.40073100    1.53371000   -3.55053000
 C                  2.97837100    3.42380100   -4.51443100
 C                  2.25473700    2.26556600   -2.34501000
 H                  4.74777500    1.08541300   -2.61940400
 C                  5.57859800    1.94021000   -4.43764800
 Cl                 3.44390300    0.08784600   -4.34139900
 C                  3.72480600    3.01669900   -5.78959400
 H                  3.09965400    4.49258300   -4.35066400
 H                  1.90417000    3.25682300   -4.65268900
 H                  2.62208900    1.77991200   -1.43314700
 H                  1.67440900    3.14984800   -2.06867900
 H                  1.60968800    1.56529200   -2.88262800
 C                  5.25249400    2.96168000   -5.56409600
 H                  6.00255100    1.02811800   -4.86953400
 H                  6.34226900    2.34471700   -3.76675200
 H                  3.38582000    2.03458600   -6.13257600
 H                  3.47892200    3.73370900   -6.57963900
 C                  5.83805600    4.36455400   -5.39718300
 H                  5.69118500    2.57205300   -6.49629900
 C                  6.47345200    4.82008500   -4.30887200
 C                  5.64331600    5.27011500   -6.59468800
 H                  6.59228700    4.24560500   -3.39674700
 H                  6.85911000    5.83770100   -4.28111600
 H                  5.91479200    4.75854000   -7.53041000
 H                  4.59540600    5.58534000   -6.69312200
 H                  6.25142500    6.17582500   -6.50374600
 
B 66 39 S 5 0.101000

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        


