QUESTDB_website/static/data/structures/QUEST4/ccl2.xyz

mirror of https://github.com/LCPQ/QUESTDB_website.git synced 2024-11-05 05:33:55 +01:00
3
\ce{CCl2},^1A_1,CC3,aug-cc-pVTZ
C    0.00000000            0.00000000           -0.85155553
Cl   0.00000000            1.40422788            0.14606856
Cl   0.00000000           -1.40422788            0.14606856
Add geometries for QUEST#4 2020-08-31 17:22:15 +02:00			`3`
Add molecule parameter to each XYZ 2020-09-27 16:41:49 +02:00			`\ce{CCl2},^1A_1,CC3,aug-cc-pVTZ`
Add geometries for QUEST#4 2020-08-31 17:22:15 +02:00			`C 0.00000000 0.00000000 -0.85155553`
			`Cl 0.00000000 1.40422788 0.14606856`
			`Cl 0.00000000 -1.40422788 0.14606856`