“…Mol. a Local mode contributions b 1-1 88.2% C1-O4, 11.8% H2-C1-H3 1-2 83.4% C1-O4, 10.4% (C1-F2, C1-F3), 6.2% F2-C1-F3 1- 3 93.1% C1-O4 1- 4 94.7% C1-O4 1- 5 85.5% C1-O4 1- 6 76.3% C3-O8, 18.7% (C3-C1, C3-C2) 1- 7 82.0% C3-O11, 6.9% C2-C3-C4 1- 8 82.4% C4-O14, 8.3% C3-C4-C5 1- 9 82.3% C1-O17, 5.2% C6-C1-C2 1- 10 77.4% C1-O2, 5.3% C3-C1-C7 1- 11 67.6% C1-O2, 7.0% C4-C1-C7, 5.6% C4-C1, 5.6% C7-C1 1- 12 77.7% C5-O10, 7.3% C4-C5-C6 1- 13 79.7% C1-O2, 6.2% C14-C1-C3 1-14 79.2% C1-O2, 6.2% C3-C1-C14 1- 15 89.2% C1-O2 1- 16 90.5% C1-O2 1- 17 71.5% C1-O16, 10.7% N11-C1-C4, 7.5% N11-C1 1- 18 80.6% C1-O2, 6.4% N3-C1, 6.4% N5-C1 1- 19 91.2% C1-O2 1-20 81.9% C5-O6, 6.1% C5-C1, 5.5% O7-C5-C1 1-21 76.0% C1-O2, 7.1% C8-C1-O3, 5.7% C8-C1 1- 22 87.2% C1-O2, 5.3% C1-C6 1- 23 75.7% C1-O2, 6.9% N7-C1, 6.8% N7-C1-C3 1- 24 93.3% C1-O2, 6.7% C1-Fe39 1- 25 94.0% C1-O2 92.5% C9-N10, 7.5% C9-S1 2-8 89.9% C1-N2, 10.1% C3-C1 2-9 45.1% N9-C7, 45.1% C8-N10 2-10 44.1% C1-N2, 44.1% C3-N4, 11.6% (C3-C7, C5-C1) 2- 11 88.3% C12-N13, 11.3% C12-C3 2- 12 88.4% N2-C1, 11.3% C3-C1 2- 13 88.3% C1-N2, 11.5% C1-C3 2-14 92.8% C13-N14, 7.2% C13-S12 2- 15 87.3% N7-C6, 12.5% C4-C6 2- 16 94.2% N2-C1, 5.8% Se3-C1 2-17 93.7% C1-N2, 6.3% C1-Se3…”