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	hartrees
Energy at 0K	-568.036826
Energy at 298.15K
HF Energy	-567.318734
Nuclear repulsion energy	203.282942

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3293	3120	1.90
2	A'	3258	3086	2.20
3	A'	3255	3084	2.47
4	A'	1572	1489	21.89
5	A'	1482	1404	29.74
6	A'	1369	1297	5.02
7	A'	1273	1206	11.85
8	A'	1154	1093	4.85
9	A'	1069	1013	6.45
10	A'	893	846	13.43
11	A'	879	833	37.62
12	A'	767	727	0.80
13	A'	621	588	1.19
14	A"	909	861	0.03
15	A"	830	786	35.82
16	A"	744	704	24.83
17	A"	609	577	16.01
18	A"	463	439	0.00

Atom	x (Å)	y (Å)
S1	0.000	1.199
C2	-1.201	-0.071
C3	1.228	-0.033
N4	-0.747	-1.296
C5	0.643	-1.275
H6	-2.267	0.175
H7	2.290	0.214
H8	1.189	-2.222

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7480	1.7390	2.6042	2.5559	2.4878	2.4928	3.6210
C2	1.7480		2.4294	1.3067	2.2026	1.0937	3.5031	3.2153
C3	1.7390	2.4294		2.3440	1.3728	3.5010	1.0908	2.1890
N4	2.6042	1.3067	2.3440		1.3900	2.1153	3.3917	2.1456
C5	2.5559	2.2026	1.3728	1.3900		3.2512	2.2204	1.0927
H6	2.4878	1.0937	3.5010	2.1153	3.2512		4.5575	4.2055
H7	2.4928	3.5031	1.0908	3.3917	2.2204	4.5575		2.6730
H8	3.6210	3.2153	2.1890	2.1456	1.0927	4.2055	2.6730

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	116.226	S1	C2	H6	120.440
S1	C3	C5	109.884	S1	C3	H7	121.817
C2	S1	C3	88.323	C2	N4	C5	109.486
C3	C5	N4	116.080	C3	C5	H8	124.819
N4	C2	H6	123.333	N4	C5	H8	119.101
C5	C3	H7	128.299

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: CCSD/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)