%chk=Scan-Dec.chk
%nprocshared=8
%mem=22GB
#p opt=modredundant b97d3/gen nosymm  pseudo=read

Scan

-1 1
 Al                -5.56391600    2.56335300    4.51589600
 O                 -4.12050300    2.64436200    3.29581000
 O                 -5.20024300    3.88434500    5.74867000
 N                 -6.45940000    4.08085100    3.13563700
 O                 -7.28519800    2.09441300    4.98399000
 O                 -5.45573600    0.41998800    2.44242000
 C                 -6.21288900    4.61733200    6.21081000
 C                 -7.09098400    5.29293300    5.31941600
 C                 -8.22902200    5.95701000    5.78383100
 C                 -8.49179300    5.97932300    7.14824400
 C                 -7.62336600    5.40359700    8.06942600
 C                 -6.49179100    4.74751500    7.58799500
 C                 -6.70878300    5.37640800    3.86414700
 H                 -8.91642700    6.42365600    5.08520500
 H                 -7.82731200    5.43414000    9.13339900
 C                 -8.45628300    2.70168800    4.83545000
 C                 -9.43480300    2.76059500    5.85711300
 C                -10.65700800    3.41233000    5.70551000
 C                -10.93549200    4.03136000    4.49397900
 C                -10.00674000    4.03354500    3.46087700
 C                 -8.78404400    3.38286900    3.63358700
 H                -11.35461400    3.45839600    6.53330300
 H                -10.21707400    4.56096800    2.53463100
 C                 -7.72528100    3.50259700    2.58372200
 C                 -3.53103100    3.88148700    3.11292900
 C                 -2.31194000    4.24652100    3.69251700
 C                 -1.76276600    5.50779700    3.46409600
 C                 -2.46544500    6.40095500    2.66128000
 C                 -3.70304700    6.08730600    2.11169700
 C                 -4.23745400    4.81944900    2.35660500
 H                 -0.80414600    5.77185700    3.89413400
 H                 -4.24366600    6.80940500    1.50819400
 C                 -5.61222100    4.40634200    1.93283000
 C                 -5.97005100   -0.72612900    2.02758000
 C                 -7.36811300   -0.97990500    2.00220300
 C                 -7.93857100   -2.17829400    1.57886900
 C                 -7.09973400   -3.19320600    1.14162900
 C                 -5.72322800   -3.02509800    1.14846600
 C                 -5.16369800   -1.82770800    1.60392200
 H                 -1.23521400   -1.73400000    0.95691300
 H                 -9.01553200   -2.30082200    1.59057700
 H                 -5.07440600   -3.83634500    0.83060500
 H                 -4.42518300   -0.84747000   -0.43576300
 Al                -3.72544900    1.15506800    2.03935000
 H                 -1.39922500   -0.69891500    2.40053800
 O                 -2.07101900    1.98541600    1.69642600
 N                 -3.02489700   -0.59614100    1.08825800
 O                 -4.46430200    1.84726900    0.42575600
 H                 -7.45987900    2.53131700    2.15654300
 C                 -1.10072600    1.67511300    0.87410600
 C                 -0.73550600    0.32276700    0.62915300
 C                  0.27852700   -0.01615200   -0.26804100
 C                  0.94687200    0.99278300   -0.95257700
 C                  0.61564200    2.33314300   -0.77433200
 C                 -0.39148900    2.65207100    0.13200900
 C                 -1.53899200   -0.73897600    1.31575900
 H                  0.52574400   -1.05882500   -0.45140100
 H                  1.10992600    3.11370600   -1.34130200
 C                 -3.77590900    1.84035500   -0.70318800
 C                 -3.64431100    2.96717300   -1.54590200
 C                 -2.84098000    2.98294100   -2.68282500
 C                 -2.16371400    1.81797600   -3.02467600
 C                 -2.30030100    0.65316100   -2.27931400
 C                 -3.10468600    0.66092100   -1.13804600
 H                 -2.73326200    3.89006100   -3.26599000
 H                 -1.76137300   -0.24448200   -2.56655900
 C                 -3.35550200   -0.61646900   -0.38026100
 H                 -2.80617600   -1.44849000   -0.84479100
 H                 -5.76235900    5.92389300    3.81094300
 H                 -7.46449200    5.94893400    3.30727000
 H                 -8.08573800    4.14756500    1.76854700
 C                 -3.67032500   -1.77790700    1.74488400
 H                 -3.23543800   -2.69432400    1.31836000
 H                 -3.39802200   -1.73926700    2.80351400
 H                 -5.56108300    3.51860700    1.29757500
 H                 -6.10544400    5.20785900    1.36630400
 O                 -4.73896600    0.95893500    5.24185400
 C                 -5.32850200    0.05966700    6.23411100
 C                 -6.37958200   -0.83136500    5.55808300
 H                 -4.49817500   -0.54690400    6.59273500
 C                 -7.67103900   -0.96198800    6.33590100
 H                 -8.31185700   -1.73225100    5.89410400
 H                 -8.17983200   -0.00340800    6.18329600
 C                 -5.85980000    0.80168300    7.45136000
 H                 -5.02783500    1.35591600    7.89274500
 H                 -6.61926600    1.52377800    7.15954500
 C                 -7.46040400   -1.19768300    7.83595400
 C                 -6.42777700   -0.21114300    8.46017400
 H                 -7.12181500   -2.23117000    7.98545600
 H                 -8.43003100   -1.10653100    8.34055200
 H                 -6.88210600    0.34626800    9.28796300
 Cl               -10.00912700    6.74897100    7.74093200
 Cl                -5.36789700    4.03239300    8.78190200
 Cl               -12.49936600    4.89475700    4.28513900
 Cl                -9.11016000    2.08560200    7.48615600
 Cl                 2.24362800    0.55627600   -2.12709300
 Cl                -0.85978000    4.36750800    0.30892600
 Cl                -4.52338900    4.48137000   -1.14740500
 Cl                -1.06688400    1.83307200   -4.45308700
 Cl                -1.74457900    8.01422800    2.33109300
 Cl                -1.43787600    3.12791500    4.75161700
 Cl                -7.80885400   -4.74649400    0.57078600
 Cl                -8.52557100    0.26108500    2.57728400
 H                 -5.59405600   -0.78326100    8.89058700
 H                 -6.55082400   -0.51599100    4.53499300
 I                 -5.48779800   -2.89865100    5.19077100
 C                 -3.17472500    0.41804200    4.91566900
 O                 -2.57293900    0.17272300    5.91283600
 O                 -3.00794500    0.32930600    3.69409200

B 109 44 S 6 0.06940

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
****
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




