| HF/6-311 + G(d,p) | MPW1PW91/6-311 + G(d,p) | |||||
| θ1Nsp2 | θ2Osp2 | θ3Nsp3 | θ1Nsp2 | θ2Osp2 | θ3Nsp3 | |
| BZC-1 | 125.39 | 115.28 | 110.14 | 125.13 | 112.86 | 110.02 |
| BZC-2 | 125.39 | 115.22 | 109.50 | 125.13 | 112.79 | 110.01 |
| BZC-3 | 125.39 | 115.22 | 110.12 | 125.13 | 112.75 | 109.99 |
| BZC-4 | 125.39 | 115.14 | 110.10 | 125.13 | 112.69 | 109.98 |
| BZC-5 | 125.37 | 114.70 | 110.07 | 125.13 | 112.36 | 109.91 |
| BZC-6 | 125.40 | 115.34 | 110.15 | 125.13 | 112.90 | 110.03 |
| BZC-7 | 125.40 | 115.33 | 110.15 | 125.14 | 112.88 | 110.02 |
| BZC-8 | 125.39 | 115.35 | 110.14 | 125.13 | 112.95 | 110.02 |
| BZC-9 | 125.40 | 115.56 | 110.16 | 125.14 | 113.18 | 110.06 |
| BZC-10 | 125.40 | 115.30 | 110.14 | 125.14 | 113.09 | 110.01 |