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

IC-p-solv

-1 1
 Al                -5.40873300    2.37456500    4.44955700
 O                 -3.76624100    2.49027900    3.46934900
 O                 -4.92321400    3.66459400    5.73192200
 N                 -6.20094900    3.98232100    3.17778100
 O                 -7.13521800    2.07816000    5.07641900
 O                 -5.40178100    0.72418300    3.21370300
 C                 -5.85759700    4.46340800    6.24520700
 C                 -6.70798000    5.21117500    5.38712000
 C                 -7.75388200    5.96811300    5.91869500
 C                 -7.96211300    6.04044100    7.29976200
 C                 -7.08387900    5.36297400    8.15440700
 C                 -6.04139100    4.59014700    7.63789400
 C                 -6.34309100    5.28312000    3.93251600
 H                 -8.41826900    6.50031600    5.23784900
 H                 -7.21887100    5.42645500    9.23454000
 C                 -8.30149300    2.68064400    4.89086800
 C                 -9.30238700    2.59019200    5.88150200
 C                -10.53299400    3.22037200    5.71363300
 C                -10.80829700    3.95126300    4.55044700
 C                 -9.82515000    4.04060600    3.56148900
 C                 -8.58305900    3.41425500    3.70843200
 H                -11.28159600    3.15160400    6.50254500
 H                -10.01530600    4.61772700    2.65539000
 C                 -7.52839900    3.53862400    2.64490200
 C                 -3.17291100    3.67861500    3.12710500
 C                 -1.85273400    3.94119800    3.49163700
 C                 -1.24997600    5.13522100    3.09090800
 C                 -1.96784100    6.06981000    2.33529900
 C                 -3.29646200    5.80305800    1.98922100
 C                 -3.91288400    4.60584700    2.37582900
 H                 -0.21580700    5.33230400    3.36817400
 H                 -3.86773400    6.52648800    1.40709600
 C                 -5.32076600    4.25446300    1.98808800
 C                 -6.30129900   -0.24218600    2.90020600
 C                 -7.68602900   -0.00016100    2.97746000
 C                 -8.62074400   -0.99037900    2.68171500
 C                 -8.20550200   -2.26092600    2.27609500
 C                 -6.83653800   -2.50461300    2.16730500
 C                 -5.87453500   -1.53010800    2.47465200
 H                 -2.26351500   -2.57485300    1.00664500
 H                 -9.68026200   -0.75464800    2.77005900
 H                 -6.48616400   -3.48110200    1.83232600
 H                 -5.31652200   -0.93098500    0.23935100
 Al                -3.58056900    0.88379500    2.39283400
 H                 -1.88699500   -1.60574100    2.45256600
 O                 -1.92254900    1.32559700    1.67049300
 N                 -3.62591700   -1.01531800    1.45950800
 O                 -4.50480400    1.60089400    0.88557500
 H                 -7.34442300    2.58809200    2.12835200
 C                 -1.15326300    0.67903300    0.82045600
 C                 -1.25153600   -0.72783300    0.60987100
 C                 -0.40566200   -1.35408500   -0.31070500
 C                  0.55049700   -0.63764600   -1.03648600
 C                  0.64247300    0.74692500   -0.84170500
 C                 -0.19320500    1.39386400    0.06495200
 C                 -2.22101000   -1.55064500    1.41292200
 H                 -0.50453300   -2.43070700   -0.46106000
 H                  1.36807300    1.32918600   -1.40986500
 C                 -4.00844200    1.42524400   -0.33798700
 C                 -3.67141000    2.50675000   -1.17576900
 C                 -3.11071000    2.27782700   -2.43352500
 C                 -2.87458900    0.97319800   -2.88641100
 C                 -3.21715800   -0.10518000   -2.06536300
 C                 -3.78656400    0.10637100   -0.80849200
 H                 -2.83103800    3.12662900   -3.05792800
 H                 -3.01549200   -1.12604200   -2.39056600
 C                 -4.23607900   -1.01655600    0.08180700
 H                 -4.03327900   -1.99471600   -0.38222600
 H                 -5.35637900    5.75361600    3.86769700
 H                 -7.05784400    5.91570800    3.38405400
 H                 -7.86247500    4.26311800    1.88448700
 C                 -4.42251200   -1.91208300    2.36147300
 H                 -4.34975000   -2.94401600    1.98277400
 H                 -3.93082200   -1.86476800    3.33704000
 H                 -5.30238100    3.34090300    1.38192600
 H                 -5.77114900    5.07434300    1.40528000
 O                 -2.85923800   -0.04851700    3.92769600
 C                 -1.82426500   -0.04473200    4.68911300
 O                 -1.79396600   -0.08270300    5.91384900
 O                 -0.64395500   -0.06647200    3.94051700
 C                  0.60180600   -0.00690300    4.67943600
 C                  1.54639500   -0.87427800    3.84320700
 H                  1.13741800   -1.87859200    3.72559000
 C                  1.05854400    1.45046200    4.78552500
 H                  0.26934100    2.00928500    5.30331800
 H                  1.95224900    1.48877200    5.42395900
 O                 -4.73409700    1.02563300    5.76259000
 C                 -4.70273700    0.71411000    7.18159500
 C                 -4.93805200   -0.34590000    6.17129800
 H                 -3.69520900    0.83061400    7.57292400
 C                 -5.90217900    1.13133700    8.00688300
 C                 -6.34368200   -0.90713400    6.12064600
 H                 -5.58924800    1.76180500    8.84536000
 H                 -6.53722600    1.74889200    7.36654100
 C                 -6.71408600   -0.08715600    8.53210200
 H                 -6.39453400   -1.76919300    5.44697700
 H                 -7.02000500   -0.14374200    5.72607900
 C                 -6.74970800   -1.29597500    7.55656800
 H                 -7.73637900    0.25752900    8.73724100
 H                 -6.05954100   -2.07510600    7.91276600
 H                 -7.74926700   -1.74931000    7.55056000
 C                  1.36319700    2.05098600    3.40480400
 H                  0.43806500    2.09354600    2.81869600
 H                  1.72157600    3.08369000    3.51912100
 C                  1.94631200   -0.24920500    2.52088800
 H                  1.03710400   -0.27906600    1.90380000
 H                  2.69425200   -0.86535500    2.00983100
 C                  2.40344800    1.20882600    2.64890500
 H                  2.55770500    1.61635600    1.64192100
 H                 -4.09751900   -0.96559000    5.87522400
 H                 -6.30307200   -0.41499000    9.49649500
 H                  0.43591200   -0.43816800    5.66958000
 H                  3.37058600    1.24524700    3.17334800
 I                  3.38931900   -1.33562000    5.10325300
 H                 -1.49841200    7.00054200    2.02169500
 H                 -3.81178300    3.51711000   -0.79697100
 H                 -5.35857600    4.05489600    8.29296900
 H                 -1.31532400    3.19644400    4.06738300
 H                 -0.14627900    2.47026500    0.21192500
 H                  1.19875000   -1.14512700   -1.74816400
 H                 -2.41095800    0.79958800   -3.85553400
 H                 -8.03491200    0.96435200    3.30826100
 H                 -9.06941600    2.04049000    6.79044700
 H                 -8.79175400    6.61941500    7.70100000
 H                -11.76737600    4.44894100    4.42111000
 H                 -8.92733900   -3.03948400    2.03754600

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


