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

* xyz 1 1
 C                  0.00595900    0.45185700   -0.09008700
 N                  1.20800800    0.77836900    0.16702300
 O                  2.16055400   -0.56062100    0.04136100
 H                  2.81398000   -0.31782700   -0.63932000
 H                  2.62940800   -0.58196600    0.89507700
 C                 -0.87560000    1.67329800    0.02850800
 H                 -1.44778500    1.77333100   -0.89783000
 H                 -1.57045000    1.51702800    0.85769600
 H                 -0.30209000    2.58323600    0.20654800
 C                 -0.58591300   -0.86870000   -0.49045800
 H                 -0.83928000   -0.76158800   -1.55331500
 H                  0.16358600   -1.65551000   -0.41114400
 C                 -1.84652400   -1.22841500    0.30667200
 H                 -2.65359500   -0.51124900    0.14423600
 H                 -2.20210300   -2.20574700   -0.02416900
 H                 -1.63999000   -1.29175500    1.37795400
*