Supplementary Material. Computational Study of Hydrido Boronium Dications and Comparison with the Isoelectronic Carbon Analogs
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1 Supplementary Material Computational Study of Hydrido Boronium Dications and Comparison with the Isoelectronic Carbon Analogs Golam Rasul, George A. Olah, and G. K. Surya Prakash* Loker Hydrocarbon Research Institute and Department of Chemistry, University of Southern California, University Park, Los Angeles, CA Table of Contents Table S1. CCSD(T)/cc pvtz optimized Cartesian coordinates of 1 S2 Table S2. CCSD(T)/cc pvtz optimized Cartesian coordinates of 2 S2 Table S3. CCSD(T)/cc pvtz optimized Cartesian coordinates of 3 S2 Table S4. CCSD(T)/cc pvtz optimized Cartesian coordinates of 4 S2 Table S5. CCSD(T)/cc pvtz optimized Cartesian coordinates of 5 S2 Table S6. CCSD(T)/cc pvtz optimized Cartesian coordinates of 6 S2 Table S7. CCSD(T)/cc pvtz optimized Cartesian coordinates of 7 S2 Table S8. CCSD(T)/cc pvtz optimized Cartesian coordinates of 8 S2 Table S9. CCSD(T)/cc pvtz optimized Cartesian coordinates of 9 S2 Table S10. CCSD(T)/cc pvtz optimized Cartesian coordinates of 10. S2 Table S11. CCSD(T)/cc pvtz optimized Cartesian coordinates of 11. S2 Table S12. CCSD(T)/cc pvtz optimized Cartesian coordinates of 12. S2 Table S13. CCSD(T)/cc pvtz optimized Cartesian coordinates of 13. S3 Table S14. CCSD(T)/cc pvtz optimized Cartesian coordinates of 14. S3 Table S15. CCSD(T)/cc pvtz computed vibrational frequencies of 1. S3 Table S16. CCSD(T)/cc pvtz computed vibrational frequencies of 2. S3 Table S17. CCSD(T)/cc pvtz computed vibrational frequencies of 3. S3 Table S18. CCSD(T)/cc pvtz computed vibrational frequencies of 4. S3 Table S19. CCSD(T)/cc pvtz computed vibrational frequencies of 5. S3 Table S20. CCSD(T)/cc pvtz computed vibrational frequencies of 6. S3 Table S21. CCSD(T)/cc pvtz computed vibrational frequencies of 7. S4 Table S22. CCSD(T)/cc pvtz computed vibrational frequencies of 8. S4 Table S23. CCSD(T)/cc pvtz computed vibrational frequencies of 9. S4 Table S24. CCSD(T)/cc pvtz computed vibrational frequencies of 10.. S4 Table S25. CCSD(T)/cc pvtz computed vibrational frequencies of 11.. S4 Table S26. CCSD(T)/cc pvtz computed vibrational frequencies of 12.. S4 Table S27. CCSD(T)/cc pvtz computed vibrational frequencies of 13.. S5 Table S28. CCSD(T)/cc pvtz computed vibrational frequencies of 14.. S5 Page S1
2 S1. CCSD(T)/cc-PVTZ coordinates of 1 B H H H S3. CCSD(T)/cc-PVTZ coordinates of 3 B H H H H S5. CCSD(T)/cc-PVTZ coordinates of 5 B H H H H H H S7. CCSD(T)/cc-PVTZ coordinates of 7 B H H H H H H H S9. CCSD(T)/cc-PVTZ coordinates of 9 B B H H H H S11. CCSD(T)/cc-PVTZ coordinates of 11 B B H H H H H H S2. CCSD(T)/cc-PVTZ coordinates of 2 B H H H H S4. CCSD(T)/cc-PVTZ coordinates of 4 B H H H H H S6. CCSD(T)/cc-PVTZ coordinates of 6 B H H H H H H S8. CCSD(T)/cc-PVTZ coordinates of 8 B H H H H H H H H S10. CCSD(T)/cc-PVTZ coordinates of 10 B B H H H H S12. CCSD(T)/cc-PVTZ coordinates of 12 B B H H H H H H Page S2
3 S13. CCSD(T)/cc-PVTZ coordinates of 13 B B H H H H H H S15. CCSD(T)/cc-PVTZ computed frequencies of S17. CCSD(T)/cc-PVTZ computed frequencies of S19. CCSD(T)/cc-PVTZ computed frequencies of S14. CCSD(T)/cc-PVTZ coordinates of 14 B B H H H H H H H H S16. CCSD(T)/cc-PVTZ computed frequencies of S18. CCSD(T)/cc-PVTZ computed frequencies of S20. CCSD(T)/cc-PVTZ computed frequencies of Page S3
4 S21. CCSD(T)/cc-PVTZ computed frequencies of S23. CCSD(T)/cc-PVTZ computed frequencies of S25. CCSD(T)/cc-PVTZ computed frequencies of S22. CCSD(T)/cc-PVTZ computed frequencies of S24. CCSD(T)/cc-PVTZ computed frequencies of S26. CCSD(T)/cc-PVTZ computed frequencies of Page S4
5 S27. CCSD(T)/cc-PVTZ computed frequencies of S28. CCSD(T)/cc-PVTZ computed frequencies of Page S5
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