QUESTDB_website/static/data/structures/QUEST5/maleimide.xyz

10
Maleimide,^1A_1,CC3,aug-cc-pVTZ
C    0.00000000            1.15016879            0.13317038
C    0.00000000           -1.15016879            0.13317038
C    0.00000000            0.66791856           -1.28160874
C    0.00000000           -0.66791856           -1.28160874
N    0.00000000            0.00000000            0.91200910
O    0.00000000            2.28979857            0.53524897
O    0.00000000           -2.28979857            0.53524897
H    0.00000000            0.00000000            1.91671213
H    0.00000000            1.34909216           -2.11477390
H    0.00000000           -1.34909216           -2.11477390
Add QUEST#5 geometries 2020-09-01 18:12:16 +02:00			`10`
Add molecule parameter to each XYZ 2020-09-27 16:41:49 +02:00			`Maleimide,^1A_1,CC3,aug-cc-pVTZ`
Add QUEST#5 geometries 2020-09-01 18:12:16 +02:00			`C 0.00000000 1.15016879 0.13317038`
			`C 0.00000000 -1.15016879 0.13317038`
			`C 0.00000000 0.66791856 -1.28160874`
			`C 0.00000000 -0.66791856 -1.28160874`
			`N 0.00000000 0.00000000 0.91200910`
			`O 0.00000000 2.28979857 0.53524897`
			`O 0.00000000 -2.28979857 0.53524897`
			`H 0.00000000 0.00000000 1.91671213`
			`H 0.00000000 1.34909216 -2.11477390`
			`H 0.00000000 -1.34909216 -2.11477390`