#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 8000

* xyz 1 1
 C                 -0.22186700   -2.60871800    0.00460700
 C                  1.15654800   -2.48235900   -0.11964500
 C                  1.80306100   -1.29793900    0.20006500
 C                  1.04701900   -0.22692600    0.67557200
 C                 -0.33981700   -0.33092300    0.80083500
 C                 -0.95729900   -1.52582400    0.46766000
 H                  2.88047600   -1.24414500    0.09084500
 H                 -0.95262200    0.48638000    1.16581600
 C                  1.72294600    1.09915700    1.02842600
 H                  1.37022500    1.47915600    1.98741000
 H                  2.80621900    0.95330100    1.08793400
 H                  1.87851700    1.68964300   -1.05647400
 C                  0.55131700    3.07044800   -0.15664000
 C                  0.34164100    3.71418800   -1.41725900
 C                 -0.11983100    3.57315200    1.00247200
 C                 -0.49712400    4.80307700   -1.51139500
 H                  0.84796300    3.33221900   -2.29878300
 C                 -0.95495000    4.66024700    0.89349700
 H                  0.02946800    3.10413600    1.96846000
 C                 -1.14175700    5.27035400   -0.35889700
 H                 -0.65986400    5.29339000   -2.46395700
 H                 -1.46577300    5.05067400    1.76595700
 H                 -1.80433900    6.12748200   -0.43332900
 C                  1.40980900    1.98041100   -0.11531900
 N                 -0.89150800   -3.86500000   -0.35320000
 O                 -0.66589100   -4.82107800    0.36146000
 O                 -1.60977600   -3.82957900   -1.33407700
 F                 -2.27244500   -1.64356600    0.60008800
 F                  1.85951800   -3.51133800   -0.57108700
*

