%chk=Int3-solv.chk
%nprocshared=4
%mem=3GB
#p scrf=(solvent=1-hexanol) b97d3/gen pseudo=read nosymm

IC-p-solv

-1 1
 Al                -5.51045600    2.97072500    4.69513500
 O                 -4.27339300    2.69573200    3.24103400
 O                 -5.05815100    4.58908300    5.42003100
 N                 -6.58093100    4.34771300    2.97319600
 O                 -7.24329200    2.60540300    5.15200600
 O                 -5.61680000    0.38192200    2.84818500
 C                 -6.07355200    5.36043600    5.85161900
 C                 -6.97405800    5.93919100    4.92835700
 C                 -8.06073200    6.68404700    5.39361500
 C                 -8.28906300    6.86902500    6.76193500
 C                 -7.37521500    6.30253900    7.66415900
 C                 -6.27337100    5.55241900    7.23840700
 C                 -6.70159600    5.76390800    3.45598700
 H                 -8.77130400    7.08512600    4.67065300
 H                 -7.54532700    6.41993000    8.73659900
 C                 -8.40975500    3.25781400    5.06587700
 C                 -9.22664000    3.38880900    6.21406600
 C                -10.44306700    4.06955900    6.10240200
 C                -10.89039800    4.62839600    4.89687800
 C                -10.06654400    4.48808300    3.77449800
 C                 -8.84328300    3.81716500    3.84506600
 H                -11.05515200    4.18517000    6.99898100
 H                -10.36511900    4.93596100    2.82469500
 C                 -7.91510900    3.76084300    2.67084600
 C                 -3.67107300    3.89399200    2.84661900
 C                 -2.46944000    4.32571200    3.42629400
 C                 -1.94244800    5.55195800    3.00392100
 C                 -2.57533700    6.35340200    2.04334200
 C                 -3.81923500    5.93362300    1.55869500
 C                 -4.38251900    4.72168600    1.97497900
 H                 -1.00174600    5.88898400    3.44166900
 H                 -4.37950000    6.56597500    0.86921300
 C                 -5.80281100    4.33682600    1.69493500
 C                 -6.18697100   -0.82307200    2.86868200
 C                 -7.58813800   -0.94237500    3.12598600
 C                 -8.17856200   -2.20458300    3.20494200
 C                 -7.46544500   -3.39659800    3.00456800
 C                 -6.11096100   -3.27209900    2.70197400
 C                 -5.46714500   -2.02591900    2.64261500
 H                 -1.81477200   -2.23477900    1.01446300
 H                 -9.24835600   -2.25554500    3.41698400
 H                 -5.51818700   -4.16999700    2.51453200
 H                 -5.16779300   -1.15359300    0.31637900
 Al                -3.94230800    1.01032500    2.23033500
 H                 -1.65623800   -1.26067800    2.48500200
 O                 -2.19560300    1.59029400    1.84500800
 N                 -3.45487800   -0.98379700    1.49014300
 O                 -4.61947100    1.55156300    0.55806500
 H                 -7.72254800    2.72923900    2.35838400
 C                 -1.27853400    1.14808300    0.99886900
 C                 -1.13814300   -0.22918700    0.70202100
 C                 -0.15017600   -0.67183000   -0.18431800
 C                  0.73658200    0.21514200   -0.79988100
 C                  0.59142500    1.58002500   -0.50042000
 C                 -0.38782000    2.06364200    0.37019800
 C                 -1.97778600   -1.22905800    1.43715400
 H                 -0.07972700   -1.74002300   -0.39958400
 H                  1.25695400    2.30044400   -0.98091500
 C                 -4.04872300    1.21389900   -0.60033800
 C                 -3.76320000    2.19351400   -1.58735600
 C                 -3.10008000    1.80936700   -2.75558200
 C                 -2.71438100    0.48296100   -3.00904700
 C                 -3.04534400   -0.47806000   -2.05089100
 C                 -3.70772600   -0.13351500   -0.86941900
 H                 -2.85323300    2.58078200   -3.48831300
 H                 -2.75712200   -1.51903300   -2.20779400
 C                 -4.08639800   -1.17560800    0.13947100
 H                 -3.82221700   -2.18202000   -0.22472900
 H                 -5.73795100    6.23487700    3.23736500
 H                 -7.47377600    6.28010600    2.86010500
 H                 -8.36604100    4.29458400    1.81428500
 C                 -3.98627900   -2.03381100    2.41409100
 H                 -3.68933700   -3.01892400    2.01608300
 H                 -3.46018400   -1.89647200    3.36259100
 H                 -5.84496700    3.32616600    1.27920200
 H                 -6.26504800    5.03282500    0.97335400
 O                 -3.20787000    0.24510700    3.99873400
 C                 -2.29376600    0.19733900    4.81056500
 O                 -2.44166000    0.04001600    6.10583000
 O                 -1.03295000    0.26917700    4.37447200
 C                  0.14320600    0.03919100    5.23392200
 C                  0.84984300   -1.12692700    4.53226500
 H                  0.18830900   -1.99296400    4.47209700
 C                  0.96642000    1.32444100    5.24428700
 H                  0.35176800    2.12630900    5.66564000
 H                  1.81160700    1.16583600    5.92690600
 O                 -4.70724500    1.83704100    5.87561300
 C                 -3.80458500   -0.27630900    6.65614100
 C                 -4.99441400    0.49251700    6.05904700
 H                 -3.66247300    0.04852900    7.69208800
 C                 -4.01480300   -1.79740100    6.55102100
 C                 -6.16853200    0.25452400    7.04862800
 H                 -3.60745200   -2.14203200    5.59218400
 H                 -3.44335900   -2.30038800    7.34305200
 C                 -5.51435000   -2.17130800    6.62882400
 H                 -7.07598700    0.55418200    6.52025400
 H                 -6.04187900    0.95441400    7.88462000
 C                 -6.26463700   -1.20645000    7.55970200
 H                 -5.61391500   -3.20932500    6.97376100
 H                 -7.31497000   -1.51349300    7.65089800
 H                 -5.83224900   -1.28503800    8.56970100
 C                  1.47822000    1.68879500    3.84111100
 H                  0.62816200    1.92597500    3.19148800
 H                  2.09641300    2.59377000    3.90210300
 C                  1.44523700   -0.75320400    3.18550600
 H                  0.59399800   -0.58924800    2.50777200
 H                  2.01490000   -1.59386600    2.77443600
 C                  2.27751000    0.53490300    3.21682000
 H                  2.56118400    0.79060400    2.18895100
 H                 -5.26086400    0.01080500    5.11253200
 H                 -5.95725800   -2.12968200    5.62665100
 H                 -0.20050000   -0.24089600    6.22981800
 H                  3.20357000    0.36448500    3.78594200
 I                  2.43264100   -1.91739500    5.94461200
 C                 -1.78298300    3.49308600    4.46615000
 H                 -1.34676900    2.61698000    3.98134400
 H                 -0.98862600    4.06550900    4.95929100
 H                 -2.49318200    3.14153800    5.22312100
 C                 -8.13994200   -4.74414700    3.11546400
 H                 -8.40098400   -4.98231600    4.15798400
 H                 -9.07276000   -4.77850100    2.53496800
 H                 -7.48700100   -5.54571300    2.74788500
 C                 -8.42544100    0.29060300    3.29037000
 H                 -7.95797100    0.99245700    3.98202700
 H                 -8.53575200    0.80966700    2.32796500
 H                 -9.42872200    0.04326800    3.65596600
 C                 -5.31735600    4.89349400    8.20012700
 H                 -5.18346500    3.83581600    7.93969900
 H                 -4.31812300    5.34826300    8.13884400
 H                 -5.67570400    4.97563800    9.23409100
 C                 -8.75188900    2.83677300    7.53073400
 H                 -8.75736400    1.73844400    7.53193000
 H                 -7.71989100    3.14770500    7.72220700
 H                 -9.38690000    3.18815700    8.35301100
 C                 -9.53270000    7.57390700    7.25081000
 H                -10.36938000    6.86560800    7.34963600
 H                 -9.37452800    8.03975700    8.23252300
 H                 -9.85263100    8.35771700    6.55136600
 C                -12.17643800    5.42009500    4.82988200
 H                -12.66949200    5.30580400    3.85535100
 H                -12.88443700    5.10004900    5.60529000
 H                -11.99404800    6.49579700    4.97922000
 C                 -4.14212100    3.62579100   -1.33125500
 H                 -5.23279700    3.74353100   -1.26215700
 H                 -3.73554800    3.96620900   -0.37405900
 H                 -3.77235600    4.28294300   -2.12793400
 C                 -0.53924100    3.53367600    0.64424400
 H                 -1.57828000    3.85125200    0.50936100
 H                 -0.28857400    3.77903300    1.68342200
 H                  0.10564200    4.12649200   -0.01613100
 C                  1.77103800   -0.26342100   -1.79251400
 H                  1.44475400   -0.09701500   -2.83066100
 H                  2.72730400    0.26285100   -1.66561200
 H                  1.96240200   -1.33830600   -1.67967200
 C                 -1.91357400    0.12651300   -4.23976300
 H                 -2.30594000    0.62107700   -5.13947700
 H                 -0.86191200    0.43320800   -4.13187800
 H                 -1.92190500   -0.95606000   -4.41990900
 C                 -1.93287900    7.62941000    1.55212800
 H                 -2.68233300    8.33063700    1.16467200
 H                 -1.37734500    8.13247500    2.35401400
 H                 -1.22079900    7.42424500    0.73854400

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


