%chk=Test3.chk
%nprocshared=12
%mem=22GB
#p opt=(noeigentest) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

IC

0 1
 Al                 1.39082200   12.01049800   -1.63803400
 N                  1.53534100   12.07084400    0.38607800
 O                  2.62785500   10.76752900   -1.78041600
 O                 -0.44258800   11.45172100   -1.47540900
 O                  1.49880000   13.75160600   -1.85935000
 C                  2.99565000   12.05803600    0.71679300
 H                  3.46331900   12.88180000    0.16653400
 H                  3.10676500   12.27326800    1.78614200
 C                  3.65550600   10.75075100    0.37680800
 C                  3.43872600   10.18058500   -0.88364200
 C                  4.04847500    8.95632600   -1.21147400
 C                  4.86724500    8.34582900   -0.26514500
 H                  5.32828700    7.39173700   -0.51624400
 C                  5.09523500    8.89736800    0.99909100
 C                  4.47092400   10.10421700    1.30292700
 H                  4.61114400   10.55535200    2.28339100
 C                  0.89333700   10.91426200    1.05933500
 H                  1.39108000   10.01087400    0.70102600
 H                  1.09100400   10.98840000    2.13509700
 C                 -0.58760000   10.76894100    0.83197300
 C                 -1.21172500   10.95333100   -0.39814500
 C                 -2.57116100   10.71148200   -0.60376100
 C                 -3.30835500   10.25272400    0.48532600
 H                 -4.36777200   10.05266500    0.34458700
 C                 -2.73164100   10.04924700    1.73781500
 C                 -1.37496400   10.31492300    1.88909500
 H                 -0.90189300   10.16331900    2.85605800
 C                  0.91189000   13.33627000    0.89792900
 H                 -0.14093800   13.32019800    0.59464400
 H                  0.94256700   13.31154300    1.99355100
 C                  1.58060900   14.58078100    0.38896600
 C                  1.82787700   14.72100600   -0.98190700
 C                  2.43074300   15.89098200   -1.47221400
 C                  2.76354500   16.89860300   -0.57020700
 H                  3.22492700   17.80786600   -0.95189400
 C                  2.52260200   16.78283400    0.80237500
 C                  1.94194800   15.60431100    1.26441500
 H                  1.75452400   15.47725200    2.32923200
 O                  1.25151400   11.95232900   -3.58915500
 C                  1.19474200   12.97757800   -4.60396000
 C                  0.81044300   11.60764600   -4.93119000
 H                  2.17278200   13.34486500   -4.89684300
 H                  0.42088700   13.72183100   -4.44415700
 C                 -3.21724000   10.90592900   -1.94988400
 H                 -2.81608200   10.19988200   -2.68421600
 H                 -3.07701400   11.92470600   -2.33680600
 H                 -4.29510800   10.74019400   -1.88135200
 C                  2.70135900   16.01698900   -2.94628100
 H                  1.77694400   15.92381300   -3.52826400
 H                  3.37689800   15.22605900   -3.29391600
 H                  3.15648200   16.98450000   -3.17895000
 C                  2.86363000   17.90820900    1.74877700
 H                  2.04274000   18.63362400    1.81637500
 H                  3.75410500   18.45145000    1.41435000
 H                  3.05375600   17.53203300    2.75945000
 C                 -3.56114100    9.57622100    2.90377600
 H                 -2.95219600    9.01692200    3.62091600
 H                 -4.37914400    8.93115200    2.56864700
 H                 -4.00575200   10.42580900    3.43683700
 C                  3.76035900    8.30615700   -2.53360400
 H                  3.87567900    9.01662300   -3.35898200
 H                  2.73078400    7.93498000   -2.57423800
 H                  4.43608600    7.46330900   -2.71079800
 C                  5.94683700    8.18113100    2.01745900
 H                  6.76045100    7.62606900    1.53772100
 H                  5.35383800    7.45991800    2.59358400
 H                  6.39016300    8.88275700    2.73197100
 H                  1.53541200   10.96380300   -5.42141000
 C                 -0.62303000   11.16683300   -5.02859000
 H                 -0.86441200   10.91342900   -6.06220700
 H                 -1.30011000   11.95745400   -4.68444400
 O                 -0.81577500   10.04093500   -4.18788200
 C                 -0.58557300    8.78742700   -4.73639500
 O                 -0.46093100    8.66030200   -5.94042800
 O                 -0.58943800    7.91119700   -3.80895400
 Al                 0.35492100    6.28877900   -3.85901600
 N                  1.41896300    4.37942800   -3.88730700
 O                  0.43683800    6.25685900   -2.07390800
 O                  1.73763200    7.02543100   -4.71126800
 O                 -1.00111900    5.46959300   -4.70395800
 C                  0.88875600    3.51718000   -2.80252500
 C                  2.86595000    4.61503300   -3.66871900
 C                  1.22314800    3.72343000   -5.20103700
 C                  0.92225100    5.42490700   -1.15863900
 C                  2.93091100    6.64611400   -5.14592600
 C                 -1.23444200    4.27078100   -5.22579200
 H                 -0.19003100    3.42307400   -2.96222200
 H                  1.32168800    2.50983700   -2.89629400
 C                  1.16801100    4.06644900   -1.42835500
 H                  2.97242500    5.13707600   -2.71242700
 H                  3.37682100    3.64549000   -3.56722200
 C                  3.52299500    5.43581900   -4.74257900
 H                  1.57574300    4.42488800   -5.96555200
 H                  1.86327000    2.82991500   -5.25948500
 C                 -0.20635900    3.34429400   -5.47480200
 C                  1.21940500    5.93380900    0.12385800
 C                  3.62926200    7.48582000   -6.03599800
 C                 -2.56573700    3.91796300   -5.53521000
 C                  1.68663400    3.24232900   -0.43004500
 C                  4.76043400    5.05777500   -5.26083400
 C                 -0.51169100    2.08997500   -6.00232000
 C                  1.72286200    5.07660600    1.09809400
 C                  1.02017600    7.40174600    0.37802100
 C                  4.86823700    7.07967700   -6.52431100
 C                  3.03220300    8.81819800   -6.39892800
 C                 -2.82811000    2.66327500   -6.07854200
 C                 -3.65985900    4.91479400   -5.26645000
 C                  1.96153400    3.72097500    0.84845100
 H                  1.87699600    2.19511800   -0.66243000
 C                  5.45296500    5.86209200   -6.16527200
 H                  5.19308300    4.10998000   -4.94234800
 C                 -1.81782100    1.72768000   -6.32427100
 H                  0.29868900    1.38222900   -6.17495900
 H                  1.94171600    5.48167800    2.08521700
 H                 -0.01468500    7.70881400    0.19285500
 H                  1.64355000    7.99202400   -0.30193100
 H                  1.28304600    7.66274100    1.40778600
 H                  5.39320700    7.73276100   -7.22135900
 H                  3.17066300    9.52935000   -5.57201500
 H                  1.95498700    8.73498500   -6.57441200
 H                  3.51072600    9.24465600   -7.28737800
 H                 -3.85991800    2.40353200   -6.31287600
 H                 -3.48064500    5.85493400   -5.80145800
 H                 -3.70791500    5.17260100   -4.20157900
 H                 -4.63541600    4.52229200   -5.57053200
 C                  2.54638500    2.82085600    1.90981700
 C                  6.76589000    5.41915400   -6.76382100
 C                 -2.12274300    0.38811000   -6.95010200
 H                  2.19099500    3.09623600    2.90938900
 H                  3.64258200    2.88456100    1.92675200
 H                  2.28421800    1.77209000    1.73320700
 H                  7.30711400    4.74506800   -6.09087400
 H                  7.41406700    6.27637700   -6.97874700
 H                  6.61297600    4.88367200   -7.70985000
 H                 -2.10326200    0.44430800   -8.04678300
 H                 -3.11671200    0.02759700   -6.66269700
 H                 -1.38920500   -0.36775600   -6.64897700
 H                 -0.95167600   11.41723400   -2.30258600
 

   
     


