Compound name

DFT/B3LYP

HF

STO-3G

3-21 G

6-31 G(d)

STO-3G

3-21 G

6-31 G(d)

Paracetamol

1.4632

2.0904

2.1131

1.8224

2.5928

2.4109

Diphenhydramine

1.0410

1.3651

1.0863

1.0773

1.4069

1.0533

Pseudoephedrine

3.4684

3.4946

2.9005

2.6890

3.2765

2.8123