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Table 4
Comparison of relative intensities between predicted and measured lines to determine possible energy differences between the two distinct conformers of 3-methylbutyronitrile.
| Conformers | Frequency [MHz] | Experimental ratio | Predicted ratio |  |
|---|---|---|---|---|
| gauche : anti | 179780.65 : 179847.28 | 0.68 | 0.63 | 1.09 |
| gauche : anti | 179780.65 : 179848.36 | 0.75 | 0.63 | 1.19 |
| gauche : anti | 181864.39 : 181853.98 | 0.30 | 0.24 | 1.25 |
| gauche : anti | 185875.97 : 185863.15 | 0.66 | 0.64 | 1.04 |
| gauche : anti | 185875.97 : 185862.21 | 0.71 | 0.64 | 1.11 |
| gauche : anti | 185875.97 : 185885.47 | 0.65 | 0.78 | 0.83 |
| gauche : anti | 188169.56 : 188163.25 | 0.71 | 0.68 | 1.04 |
| gauche : anti | 195666.78 : 195633.48 | 0.60 | 0.70 | 0.85 |
| gauche : anti | 195656.40 : 195633.48 | 0.64 | 0.70 | 0.91 |
| gauche : anti | 206144.08 : 206141.00 | 0.58 | 0.48 | 1.21 |
| gauche : anti | 206144.08 : 206147.46 | 1.01 | 0.96 | 1.06 |
| gauche : anti | 361509.99 : 361478.16 | 0.37 | 0.36 | 1.01 |
| gauche : anti | 361509.99 : 361588.62 | 0.38 | 0.38 | 1.00 |
| gauche : anti | 361509.99 : 361601.38 | 0.93 | 0.89 | 1.04 |
| gauche : anti | 361509.99 : 361622.40 | 0.83 | 0.87 | 0.95 |
| gauche : anti | 375080.84 : 375030.46 | 1.59 | 1.70 | 0.93 |
| Average | 1.03 | |||
| Sigma | 12% | |||
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