%nprocshared=4  
%mem=3GB
#p opt=maxstep=2 freq=noraman wb97xd/genecp
scrf=(solvent=dichloromethane,pcm) nosymm scf=yqc

minimum of the possible transfer of proton

0 1
 O                  1.13295200   -1.09054800    2.75472000
 H                  1.08853100   -0.30218700    2.19683500
 H                  1.86015000   -1.61951600    2.35432100
 H                 -0.35221400   -1.86470400    2.26140100
 O                 -1.10757900   -2.30997700    1.80303300
 H                 -1.04843000   -3.23436200    2.07837700
 O                  3.12310900   -2.50071400    1.44688500
 H                  4.00976400   -2.15542300    1.61122100
 H                  2.94070700   -2.29965400    0.50794100

-C -N -O -P -H 
6-31g(d)
*****
-Cu 0
lanl2dz 
F  1  1.0
3.525    1.0000
*****

-Cu 0    
lanl2dz 



 
