#
#Single point
#
! wB97X-D3 def2-TZVPPD autoaux TightSCF
%pal nprocs 4
end
%maxcore 4000

* xyz 1 1
 C                  1.04707600    0.74051100   -0.31784900
 N                  2.13286000    0.35027600    0.22874100
 O                  2.20556900   -1.19746500    0.19989300
 H                  3.08664600   -1.39483700    0.56638900
 H                  1.49260600   -1.57207100    0.77471800
 C                  0.90194200    2.23111500   -0.34206500
 H                  0.81642000    2.55738100   -1.38332000
 H                 -0.02222100    2.50110300    0.17836600
 H                  1.74967700    2.72857900    0.12876800
 C                 -0.04386600   -0.12902400   -0.89752100
 H                 -0.67126800    0.47209900   -1.55849000
 H                  0.37514000   -0.95510200   -1.47842700
 C                 -0.95094000   -0.70680000    0.18383700
 F                 -1.90140900   -1.46027000   -0.33456300
 F                 -1.49128500    0.23911200    0.94429400
 F                 -0.21546300   -1.51592800    1.03823200
*