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

* xyz 1 1
 C                 -1.05651200    1.19363300    0.00062600
 N                 -1.12381800    2.40366000    0.00079400
 O                  0.93802400    3.03957100   -0.00062900
 H                  1.07107100    3.60523000   -0.77236000
 H                  1.07224100    3.60480800    0.77120900
 C                 -0.46151400   -0.11741900    0.00011100
 C                 -1.26400300   -1.26236400    0.00090200
 C                  0.93566300   -0.21507200   -0.00118700
 C                 -0.60786800   -2.48996000    0.00034900
 H                 -2.34742600   -1.21219700    0.00193300
 C                  1.46757700   -1.50219500   -0.00163700
 H                  1.56752600    0.66517600   -0.00181300
 N                  0.72101300   -2.60791600   -0.00090000
 H                 -1.17509400   -3.41536100    0.00092500
 H                  2.54354400   -1.64642000   -0.00267600
 H                 -2.21994200    1.45840400    0.00157900
*