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	hartrees
Energy at 0K	-567.866443
Energy at 298.15K
HF Energy	-567.288394
Nuclear repulsion energy	205.911353

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3397	3138	2.21
2	A'	3362	3106	0.63
3	A'	3357	3101	5.14
4	A'	1657	1531	26.78
5	A'	1553	1435	37.20
6	A'	1445	1335	7.27
7	A'	1348	1245	11.44
8	A'	1216	1123	5.66
9	A'	1130	1044	9.12
10	A'	945	872	13.53
11	A'	922	852	45.79
12	A'	807	745	1.43
13	A'	656	606	1.04
14	A"	961	888	0.19
15	A"	875	809	39.41
16	A"	785	725	28.29
17	A"	636	587	20.67
18	A"	489	451	0.02

Atom	x (Å)	y (Å)
S1	0.000	1.180
C2	-1.192	-0.066
C3	1.215	-0.036
N4	-0.738	-1.273
C5	0.639	-1.259
H6	-2.243	0.174
H7	2.262	0.209
H8	1.171	-2.196

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7241	1.7187	2.5621	2.5215	2.4579	2.4615	3.5736
C2	1.7241		2.4068	1.2902	2.1857	1.0779	3.4644	3.1817
C3	1.7187	2.4068		2.3120	1.3518	3.4639	1.0751	2.1608
N4	2.5621	1.2902	2.3120		1.3774	2.0881	3.3459	2.1206
C5	2.5215	2.1857	1.3518	1.3774		3.2188	2.1878	1.0776
H6	2.4579	1.0779	3.4639	2.0881	3.2188		4.5046	4.1563
H7	2.4615	3.4644	1.0751	3.3459	2.1878	4.5046		2.6406
H8	3.5736	3.1817	2.1608	2.1206	1.0776	4.1563	2.6406

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.674	S1	C2	H6	120.866
S1	C3	C5	109.832	S1	C3	H7	121.826
C2	S1	C3	88.706	C2	N4	C5	109.995
C3	C5	N4	115.792	C3	C5	H8	125.222
N4	C2	H6	123.460	N4	C5	H8	118.985
C5	C3	H7	128.342

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: CID/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: CID/6-31G*

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)