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	hartrees
Energy at 0K	-568.548542
Energy at 298.15K
HF Energy	-567.376988
Nuclear repulsion energy	205.444834

Atom	x (Å)	y (Å)
S1	0.000	1.179
C2	-1.196	-0.060
C3	1.218	-0.027
N4	-0.736	-1.281
C5	0.638	-1.265
H6	-2.248	0.183
H7	2.266	0.225
H8	1.176	-2.201

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7225	1.7137	2.5685	2.5259	2.4592	2.4584	3.5790
C2	1.7225		2.4138	1.3049	2.1942	1.0800	3.4732	3.1951
C3	1.7137	2.4138		2.3220	1.3669	3.4722	1.0776	2.1747
N4	2.5685	1.3049	2.3220		1.3744	2.1049	3.3583	2.1218
C5	2.5259	2.1942	1.3669	1.3744		3.2290	2.2060	1.0798
H6	2.4592	1.0800	3.4722	2.1049	3.2290		4.5140	4.1723
H7	2.4584	3.4732	1.0776	3.3583	2.2060	4.5140		2.6590
H8	3.5790	3.1951	2.1747	2.1218	1.0798	4.1723	2.6590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.391	S1	C2	H6	120.966
S1	C3	C5	109.642	S1	C3	H7	121.788
C2	S1	C3	89.250	C2	N4	C5	109.934
C3	C5	N4	115.783	C3	C5	H8	125.040
N4	C2	H6	123.643	N4	C5	H8	119.177
C5	C3	H7	128.570

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)