The Glycine ion-pair/zwitterion

ωB97XD/6-311G(d,p)ΔΔG,bΔΔS,c
+27.7a -2.6
+9.7-2.8
-11.8-15.9
+5.5 -0.6
-1.8 -15.6
-11.2 -9.2
Gas phase expt
Solution expt		-8 to -10-7.5

aNot a minimum, PT without barrier b kcal/mol ccal K-1/mol