%chk=IC-p.chk
%nprocshared=12
%mem=22GB
#p opt freq=noraman b97d3/gen pseudo=read nosymm iop(1/8=1)

IC-p

-1 1
 Al                -5.55076800    2.71695100    4.60935700
 O                 -4.06455700    2.48301900    3.47520700
 O                 -5.05230800    4.06523800    5.76752900
 N                 -6.28441700    4.17032000    3.14046300
 O                 -7.27863100    2.36989000    5.08416300
 O                 -5.46457800    0.29252900    2.92256000
 C                 -5.99852100    4.91324700    6.16758600
 C                 -6.82273700    5.58142800    5.22156400
 C                 -7.91182600    6.35690400    5.62622300
 C                 -8.17008400    6.50748200    6.98353700
 C                 -7.33571600    5.95661400    7.95162700
 C                 -6.25284700    5.18802200    7.52788500
 C                 -6.41277200    5.53385500    3.77175700
 H                 -8.56272000    6.81680700    4.88938400
 H                 -7.52491700    6.10200400    9.00896300
 C                 -8.40643300    3.02698900    4.88919100
 C                 -9.39353100    3.10482900    5.89473000
 C                -10.56854500    3.83536800    5.74651400
 C                -10.78223200    4.49521600    4.53934700
 C                 -9.85262000    4.44247400    3.50618700
 C                 -8.67349200    3.71388300    3.67915900
 H                -11.28331700    3.90063800    6.55853700
 H                -10.03251400    4.98259400    2.58058800
 C                 -7.61207300    3.70377400    2.61901500
 C                 -3.38142700    3.65789600    3.23049800
 C                 -2.19790900    3.99138800    3.89459000
 C                 -1.53150200    5.18503100    3.62377400
 C                 -2.09945500    6.05831900    2.70124500
 C                 -3.32425600    5.80173200    2.09479400
 C                 -3.97536000    4.59815400    2.38137100
 H                 -0.59820500    5.41815300    4.12204900
 H                 -3.77081800    6.52543300    1.42029100
 C                 -5.37611000    4.29714300    1.93923900
 C                 -6.07044100   -0.87284200    2.80980900
 C                 -7.48650300   -1.00829700    2.88067600
 C                 -8.15994800   -2.22733400    2.86985000
 C                 -7.41807000   -3.39138300    2.72133900
 C                 -6.04514400   -3.33269000    2.53136300
 C                 -5.37836100   -2.10217500    2.56228400
 H                 -1.88951300   -2.24604500    0.57251900
 H                 -9.24001100   -2.25174200    2.95898700
 H                 -5.48366300   -4.24434600    2.34476300
 H                 -5.27555400   -1.02405700    0.38920600
 Al                -3.67286100    0.82295600    2.41190500
 H                 -1.52608000   -1.42074100    2.11142200
 O                 -1.99272700    1.48570400    1.89190800
 N                 -3.43138800   -1.03630200    1.37706600
 O                 -4.42823800    1.59060000    0.79410200
 H                 -7.45148600    2.69601600    2.22253500
 C                 -1.21164700    1.10908400    0.91510200
 C                 -1.20504200   -0.22232300    0.40197200
 C                 -0.37564100   -0.58978900   -0.66069000
 C                  0.48911000    0.34384900   -1.21815600
 C                  0.54918300    1.64950700   -0.74047100
 C                 -0.29369400    2.00512800    0.30821100
 C                 -1.97634900   -1.29564900    1.12238000
 H                 -0.39660800   -1.60661200   -1.04337200
 H                  1.22277400    2.37941500   -1.17528100
 C                 -4.03750800    1.32081200   -0.43288400
 C                 -3.73596400    2.30903200   -1.40266200
 C                 -3.28394000    2.01390200   -2.68715800
 C                 -3.14001200    0.67848300   -3.04814100
 C                 -3.43772600   -0.34445100   -2.15591600
 C                 -3.88077500   -0.02537800   -0.87300900
 H                 -3.03749400    2.81290400   -3.37722900
 H                 -3.30281200   -1.38236000   -2.44774200
 C                 -4.22191800   -1.10646200    0.10547400
 H                 -4.06953100   -2.09946500   -0.34561700
 H                 -5.41900600    5.98668600    3.70039200
 H                 -7.10356700    6.13318800    3.16223700
 H                 -7.91204100    4.35643700    1.78569600
 C                 -3.89813900   -2.12678300    2.29300500
 H                 -3.63647400   -3.09505300    1.83848100
 H                 -3.33131100   -2.01477900    3.21856200
 H                 -5.39905300    3.34898700    1.39607500
 H                 -5.76364100    5.09248100    1.28854900
 O                 -2.94553100   -0.02951300    3.96709800
 C                 -1.88578700   -0.24639800    4.66680600
 O                 -1.82131200   -0.39740200    5.87994100
 O                 -0.75240600   -0.38142700    3.86581400
 C                  0.50640900   -0.66428100    4.54205400
 C                  1.33405500   -1.35014000    3.44890900
 H                  0.80061100   -2.21514600    3.05139300
 C                  1.14993400    0.62949700    5.04448800
 H                  0.45893000    1.09985800    5.74905300
 H                  2.05486800    0.35907800    5.60597100
 O                 -4.97568300    1.21824600    5.66392300
 C                 -4.65368600    0.72355200    7.00633400
 C                 -5.23058400   -0.18617000    5.99064300
 H                 -3.57664000    0.69942300    7.15024500
 C                 -5.58756500    1.13014800    8.12073900
 C                 -6.66505100   -0.60766700    6.21008400
 H                 -5.05354400    1.69102200    8.89103600
 H                 -6.34590800    1.80007800    7.70803400
 C                 -6.27446900   -0.11632300    8.72969900
 H                 -6.94150400   -1.39625200    5.50462200
 H                 -7.31746200    0.24731000    6.01601100
 C                 -6.83816800   -1.10335000    7.66501600
 H                 -7.07728400    0.22951300    9.39223900
 H                 -6.33414400   -2.07425200    7.76559700
 H                 -7.90395200   -1.28964800    7.84390700
 C                  1.50787400    1.57306500    3.88866900
 H                  0.58855800    1.88712500    3.38267200
 H                  1.97934600    2.48267100    4.28413400
 C                  1.80960000   -0.41141700    2.35339500
 H                  0.90585500   -0.15015000    1.78671400
 H                  2.47446300   -0.93493000    1.65758400
 C                  2.43960500    0.88247500    2.88136000
 H                  2.64355200    1.54828800    2.03322500
 H                 -4.55102600   -0.81872200    5.43012100
 H                 -5.55260000   -0.64262600    9.36846500
 H                  0.30109300   -1.34482500    5.37260000
 H                  3.40401800    0.65271800    3.35847600
 I                  3.09547800   -2.38680400    4.43670200
 C                 -1.65033966    3.06808542    4.99880020
 H                 -2.09595864    2.09959779    4.90739219
 H                 -0.58845278    2.98300879    4.89850952
 H                 -1.88615372    3.48013457    5.95770960
 C                 -1.35515995    7.36380953    2.36461561
 H                 -1.79612250    8.17527992    2.90495610
 H                 -0.32580356    7.26891752    2.64087805
 H                 -1.42641394    7.55429238    1.31412089
 C                 -0.21801919    3.44965650    0.83661494
 H                 -1.09213516    3.98681176    0.53282965
 H                 -0.16106302    3.43609558    1.90501191
 H                  0.65171988    3.92972767    0.43914088
 C                  1.40208508   -0.07214603   -2.38649869
 H                  1.34943482    0.66504104   -3.16024488
 H                  2.41093570   -0.15341187   -2.03934413
 H                  1.08022426   -1.01710267   -2.77167728
 C                 -2.61969951    0.33084022   -4.45527262
 H                 -3.42452193    0.39015680   -5.15786953
 H                 -1.85223623    1.02285071   -4.73280025
 H                 -2.22082468   -0.66203083   -4.45283003
 C                 -3.86216022    3.79894948   -1.03412379
 H                 -4.87342354    4.01370252   -0.75821141
 H                 -3.21370027    4.01917112   -0.21199113
 H                 -3.58703860    4.39917678   -1.87610674
 C                 -8.13633985   -4.75361255    2.71696968
 H                 -8.38233496   -5.02389099    1.71131767
 H                 -7.49314988   -5.49731550    3.13900353
 H                 -9.03259215   -4.68611489    3.29755203
 C                 -8.38389729    0.24101882    2.95479397
 H                 -8.56389984    0.49057673    3.97959636
 H                 -7.89607161    1.05992238    2.46866327
 H                 -9.31523441    0.04058808    2.46761979
 C                 -5.29975249    4.62463567    8.59830861
 H                 -5.75160179    3.77535338    9.06676543
 H                 -4.37990669    4.33047951    8.13759626
 H                 -5.10553424    5.37663059    9.33429972
 C                 -9.13972154    2.39879365    7.23960726
 H                 -9.18320628    1.33886058    7.09978245
 H                 -8.17266445    2.67055200    7.60818286
 H                 -9.88694588    2.69641155    7.94528379
 C                 -9.41470646    7.29667162    7.43040910
 H                -10.11454641    6.62947854    7.88864204
 H                 -9.12613962    8.04929033    8.13410950
 H                 -9.86820315    7.75957883    6.57896464
 C                -12.06609112    5.32610946    4.35790332
 H                -12.73365726    4.81170430    3.69862888
 H                -12.53886135    5.46409680    5.30782321
 H                -11.81778634    6.27983617    3.94118987

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        
****
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               
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


