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	hartrees
Energy at 0K	-568.086287
Energy at 298.15K
HF Energy	-567.378872
Nuclear repulsion energy	207.424002

Atom	x (Å)	y (Å)
S1	0.000	1.168
C2	-1.186	-0.059
C3	1.209	-0.032
N4	-0.732	-1.262
C5	0.634	-1.252
H6	-2.231	0.180
H7	2.250	0.210
H8	1.164	-2.183

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7062	1.7031	2.5373	2.5009	2.4401	2.4458	3.5470
C2	1.7062		2.3950	1.2851	2.1755	1.0722	3.4467	3.1674
C3	1.7031	2.3950		2.2982	1.3487	3.4467	1.0690	2.1515
N4	2.5373	1.2851	2.2982		1.3663	2.0793	3.3259	2.1084
C5	2.5009	2.1755	1.3487	1.3663		3.2026	2.1791	1.0717
H6	2.4401	1.0722	3.4467	2.0793	3.2026		4.4816	4.1364
H7	2.4458	3.4467	1.0690	3.3259	2.1791	4.4816		2.6276
H8	3.5470	3.1674	2.1515	2.1084	1.0717	4.1364	2.6276

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.314	S1	C2	H6	121.154
S1	C3	C5	109.524	S1	C3	H7	122.175
C2	S1	C3	89.254	C2	N4	C5	110.240
C3	C5	N4	115.667	C3	C5	H8	125.093
N4	C2	H6	123.532	N4	C5	H8	119.240
C5	C3	H7	128.301

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: CID/6-311+G(3df,2p)

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: CID/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)