QUESTDB_website/static/data/structures/QUEST1/streptocyanine-c1.xyz

8
Streptocyanine-C1,^1A_1,CC3,aug-cc-pVTZ
C    0.00000000            0.00000000            0.42592856
N    0.00000000            1.16113896           -0.17770068
N    0.00000000           -1.16113896           -0.17770068
H    0.00000000            0.00000000            1.50517557
H    0.00000000            1.25403524           -1.18203359
H    0.00000000           -1.25403524           -1.18203359
H    0.00000000            2.00776527            0.36724478
H    0.00000000           -2.00776527            0.36724478
Add XYZ files for QUEST#1 2020-08-26 18:48:34 +02:00			`8`
Add molecule parameter to each XYZ 2020-09-27 16:41:49 +02:00			`Streptocyanine-C1,^1A_1,CC3,aug-cc-pVTZ`
Add XYZ files for QUEST#1 2020-08-26 18:48:34 +02:00			`C 0.00000000 0.00000000 0.42592856`
			`N 0.00000000 1.16113896 -0.17770068`
			`N 0.00000000 -1.16113896 -0.17770068`
			`H 0.00000000 0.00000000 1.50517557`
			`H 0.00000000 1.25403524 -1.18203359`
			`H 0.00000000 -1.25403524 -1.18203359`
			`H 0.00000000 2.00776527 0.36724478`
			`H 0.00000000 -2.00776527 0.36724478`