%nprocshared=36
%mem=41GB
%chk=FLUOrefdiarcn_rad_MeButa.chk
#p opt td=(root=1,nstates=15) cam-b3lyp 6-31+g(d,p) scrf=(solvent=methylbutanoate,pcm,read) nosymm empiricaldispersion=gd3 scf=maxcyc=512

S1 opt

0 2
 C                 -0.02383100   -0.02038600    1.20978100
 C                  0.03756900   -1.31375300    0.54499400
 C                  0.60837800   -1.47044400   -0.74443200
 C                 -0.42893100   -2.48243200    1.18867900
 C                  0.67796500   -2.70970700   -1.35418900
 H                  1.03305400   -0.61084500   -1.25096700
 C                 -0.36508400   -3.73167100    0.58309700
 H                 -0.86346000   -2.40549800    2.18098500
 C                  0.18486500   -3.85508400   -0.70292800
 H                  1.12823400   -2.82515200   -2.33505700
 H                 -0.74641500   -4.59615800    1.11330700
 C                 -0.05432200    1.27357800    0.54400900
 C                  0.38301500    2.44148900    1.20915600
 C                 -0.56602800    1.43178600   -0.76978900
 C                  0.34756100    3.69129000    0.60243100
 H                  0.77197800    2.36352400    2.22011400
 C                 -0.60712500    2.67162600   -1.38095300
 H                 -0.96834400    0.57312600   -1.29574700
 C                 -0.14346900    3.81625600   -0.70715600
 H                 -1.01259500    2.78802300   -2.38106800
 C                 -0.17090100   -6.22107200   -0.77822800
 H                 -1.24580600   -6.16781900   -0.56640300
 H                  0.37465800   -6.43298600    0.14939100
 H                  0.70510200    4.55501000    1.15021500
 H                  0.01833600   -7.01559300   -1.50112900
 O                  0.29648800   -5.01948000   -1.39119600
 O                 -0.22320600    4.98111200   -1.39876200
 C                  0.21542300    6.18241900   -0.76427800
 H                  0.05852700    6.97749700   -1.49427300
 H                  1.27973400    6.12960300   -0.50430500
 H                 -0.37147900    6.39309200    0.13802800
 C                 -0.05657000   -0.02089400    2.62343800
 N                 -0.08369300   -0.02126500    3.79416800

NonEq=write

--link1--
%nprocshared=36
%mem=41GB
%chk=FLUOrefdiarcn_rad_MeButa.chk
#p td=(nstates=66) cam-b3lyp 6-311+g(d,p) scrf=(solvent=methylbutanoate,pcm,read) nosymm empiricaldispersion=gd3 scf=maxcyc=512 guess=read geom=checkpoint

Fluorescence transitions

0 2

NonEq=read

--link1--
%nprocshared=36
%mem=41GB
%chk=FLUOrefdiarcn_rad_MeButa.chk
#p td=(root=1,nstates=66) b3lyp 6-311+g(d,p) scrf=(solvent=methylbutanoate,pcm,read) nosymm empiricaldispersion=gd3 scf=maxcyc=512 guess=read geom=checkpoint

Energy of S1 with B3LYP

0 2

NonEq=read

--link1--
%nprocshared=36
%mem=41GB
%chk=FLUOrefdiarcn_rad_MeButa.chk
#p b3lyp 6-311+g(d,p) scrf=(solvent=methylbutanoate,pcm,read) nosymm empiricaldispersion=gd3 scf=maxcyc=512 guess=read geom=checkpoint

Ground state with non equilibrium solvation

0 2

NonEq=read



