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	hartrees
Energy at 0K	-567.975667
Energy at 298.15K
HF Energy	-567.287172
Nuclear repulsion energy	204.702452

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3334	3129	1.76
2	A'	3302	3099	0.63
3	A'	3294	3092	4.16
4	A'	1601	1503	20.70
5	A'	1505	1412	37.59
6	A'	1403	1317	7.84
7	A'	1315	1234	10.97
8	A'	1186	1114	4.78
9	A'	1100	1032	7.73
10	A'	921	864	12.98
11	A'	902	846	45.55
12	A'	785	736	1.15
13	A'	638	599	1.17
14	A"	891	836	0.10
15	A"	821	771	48.38
16	A"	741	696	21.81
17	A"	609	571	17.43
18	A"	470	441	0.01

Atom	x (Å)	y (Å)
S1	0.000	1.188
C2	-1.197	-0.067
C3	1.219	-0.033
N4	-0.742	-1.285
C5	0.643	-1.267
H6	-2.252	0.177
H7	2.270	0.217
H8	1.180	-2.207

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7341	1.7257	2.5820	2.5378	2.4688	2.4692	3.5944
C2	1.7341		2.4165	1.3008	2.1968	1.0827	3.4787	3.1988
C3	1.7257	2.4165		2.3266	1.3619	3.4777	1.0802	2.1744
N4	2.5820	1.3008	2.3266		1.3846	2.1019	3.3655	2.1314
C5	2.5378	2.1968	1.3619	1.3846		3.2349	2.2022	1.0828
H6	2.4688	1.0827	3.4777	2.1019	3.2349		4.5224	4.1787
H7	2.4692	3.4787	1.0802	3.3655	2.2022	4.5224		2.6577
H8	3.5944	3.1988	2.1744	2.1314	1.0828	4.1787	2.6577

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.857	S1	C2	H6	120.668
S1	C3	C5	110.005	S1	C3	H7	121.583
C2	S1	C3	88.608	C2	N4	C5	109.739
C3	C5	N4	115.791	C3	C5	H8	125.216
N4	C2	H6	123.475	N4	C5	H8	118.993
C5	C3	H7	128.412

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)