pbepbe/6-31+G(d)

HF/6-31+G(d)

bvp86/6-31+G(d)

B3LYP/6-31+G(d)

B3LYP/6-311+G(d,p)

9005

19.315

−12.520

−21.259

9.148

−6.167

9006

−6.902

−12.638

2.440

41.379

−33.777

9007

50.078

43.231

6.672

−30.293

−9.698

9010

−45.489

−1.022

23.198

−15.590

4.156

9011

12.332

3.970

49.214

9.086

−19.000

Average

5.87

4.20

12.05

2.75

−12.90