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| File | Retrieve |
|---|---|
| pentazine_Mode_A2_121.090_-0.05.log | Download |
| pentazine_Mode_A2_320.508_-0.05.log | Download |
| pentazine_Mode_A2_518.221_-0.05.log | Download |
| pentazine_Mode_A2_695.471_-0.05.log | Download |
| pentazine_Mode_A2_873.543_-0.05.log | Download |
| pentazine_Mode_A2_905.237_-0.05.log | Download |
| pentazine_Mode_B1_156.452_-0.05.log | Download |
| pentazine_Mode_B1_291.842_-0.05.log | Download |
| pentazine_Mode_B1_500.814_-0.05.log | Download |
| pentazine_Mode_B1_56.869_-0.05.log | Download |
| pentazine_Mode_B1_662.256_-0.05.log | Download |
| pentazine_Mode_B1_722.905_-0.05.log | Download |
| pentazine_Mode_B1_800.015_-0.05.log | Download |
| pentazine_Mode_B1_878.328_-0.05.log | Download |
| pentazine_Mode_B1_970.676_-0.05.log | Download |
| pentazine_Mode_B2_1076.702_-0.05.log | Download |
| pentazine_Mode_B2_1143.433_-0.05.log | Download |
| pentazine_Mode_B2_1215.233_-0.05.log | Download |
| pentazine_Mode_B2_1278.510_-0.05.log | Download |
| pentazine_Mode_B2_1329.138_-0.05.log | Download |
| pentazine_Mode_B2_1406.363_-0.05.log | Download |
| pentazine_Mode_B2_1454.833_-0.05.log | Download |
| pentazine_Mode_B2_1493.560_-0.05.log | Download |
| pentazine_optS1_pbe0-def2tzvp.com | Download |
| output.cml | Download |
Metadata:
| Title: | /PBE0/vibrational_analysis Pentazine-negative |
| Authors: | Pires-Valverde, Danillo |
| Issue Date: | 19-Mar-2024 |
| Publisher: | Matter Lab |
| Description: | Displacement along the normal modes of pentazine (negative displacement). SOC is computed at the TDA-PBE0/def2-TZVP with QChem. |
| URI: | https://iochem-bd.matter.toronto.edu/browse/handle/100/81 |
| Appears in Collections: | INVEST-molecules |
Please use this identifier to cite or link to this item:
https://iochem-bd.matter.toronto.edu/browse/handle/100/81
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