Entry

R’NH₂

ΔE (hartrees)^a)

HF/

6-31 + G*

HF/

6-311G*

ωB97X-D/

6-31G*

EDF2/

6-31G*

1

benzylamine

−248.742

−248.773

−250.401

−250.265

2

n-propylamine

−97.259

−97.271

−98.033

−97.953

3

n-butylamine

−136.294

−136.312

−137.336

−137.231

4

i-butylamine

−97.265

−136.315

−137.342

−97.960