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	hartrees
Energy at 0K	-568.019408
Energy at 298.15K
HF Energy	-567.284853
Nuclear repulsion energy	203.634272

Atom	x (Å)	y (Å)
S1	0.000	1.194
C2	-1.204	-0.067
C3	1.224	-0.028
N4	-0.741	-1.298
C5	0.644	-1.274
H6	-2.263	0.179
H7	2.278	0.228
H8	1.187	-2.216

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7438	1.7294	2.6000	2.5506	2.4803	2.4747	3.6108
C2	1.7438		2.4281	1.3149	2.2069	1.0874	3.4947	3.2147
C3	1.7294	2.4281		2.3395	1.3743	3.4929	1.0850	2.1882
N4	2.6000	1.3149	2.3395		1.3851	2.1210	3.3828	2.1356
C5	2.5506	2.2069	1.3743	1.3851		3.2498	2.2194	1.0875
H6	2.4803	1.0874	3.4929	2.1210	3.2498		4.5415	4.2001
H7	2.4747	3.4947	1.0850	3.3828	2.2194	4.5415		2.6761
H8	3.6108	3.2147	2.1882	2.1356	1.0875	4.2001	2.6761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.718	S1	C2	H6	120.569
S1	C3	C5	110.003	S1	C3	H7	121.412
C2	S1	C3	88.705	C2	N4	C5	109.617
C3	C5	N4	115.957	C3	C5	H8	125.065
N4	C2	H6	123.712	N4	C5	H8	118.978
C5	C3	H7	128.585

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: MP4/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C3H3NS (Thiazole)

using model chemistry: MP4/6-31G*

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)