No.

Mol.

Mol.

Exp.

DFT

DFTDev

01

C10H9NO3

−10.0

−9.3

0.7

02

C10H10O3

−94.0

−98.9

−4.9

03

C11H8O2

−55.9

−57.6

−1.7

04

C11H 9F 3O

−168.0

−171.1

−3.1

05

C12H 8F 2

−48.0

−53.8

−5.8

06

C12H8O2

−15.0

−20.6

−5.6

07

C12H10OS

26.7

30.1

3.4

08

C13H9N

59.0

61.7

2.7

09

C14H8O2

−24.4

−26.1

−1.7

10

C14H10

49.2

49.2

0.0

11

C18H30

−32.6

−31.5

1.1

12

C20H12

75.0

78.3

3.3

13

C22H14

81.0

82.0

1.0

14

C24H12

77.0

75.5

−1.5