#
#Single point
#
! wB97X-D3 def2-TZVPPD autoaux TightSCF
%pal nprocs 4
end
%maxcore 4000

* xyz 1 1
 C                  0.24084300    0.20017000   -1.15317500
 N                  0.26692000   -0.16538500   -0.06586700
 C                  0.31343200   -0.60950100    1.29766100
 H                 -0.25521200   -1.54047800    1.35848700
 H                  1.36046000   -0.80848800    1.53871300
 C                  0.20915100    0.63030900   -2.54229300
 H                 -0.34704600    1.57420000   -2.56886200
 H                  1.24611600    0.84976900   -2.82177600
 C                 -0.41900500   -0.42943300   -3.46924800
 H                 -1.46027800   -0.62119600   -3.20624700
 H                 -0.38807200   -0.03844500   -4.48700900
 H                  0.14180100   -1.36486300   -3.44269300
 C                 -0.27213400    0.45518100    2.23844200
 H                  0.29835300    1.38676400    2.18880100
 H                 -1.32707200    0.64234000    2.02021200
 F                 -0.16365200   -0.06954600    3.50077000
*

