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	hartrees
Energy at 0K	-568.012982
Energy at 298.15K
HF Energy	-567.298851
Nuclear repulsion energy	204.686884

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3346	3153	1.43
2	A'	3314	3123	0.10
3	A'	3311	3120	3.90
4	A'	1587	1495	22.73
5	A'	1490	1404	39.74
6	A'	1401	1320	6.66
7	A'	1313	1237	10.82
8	A'	1180	1112	5.21
9	A'	1095	1032	7.76
10	A'	919	866	10.71
11	A'	899	847	42.98
12	A'	782	737	0.72
13	A'	637	600	1.19
14	A"	884	833	0.00
15	A"	821	773	53.99
16	A"	731	689	24.13
17	A"	595	561	18.90
18	A"	458	432	0.07

Atom	x (Å)	y (Å)
S1	0.000	1.188
C2	-1.197	-0.064
C3	1.219	-0.032
N4	-0.742	-1.286
C5	0.644	-1.269
H6	-2.249	0.177
H7	2.267	0.214
H8	1.180	-2.205

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7324	1.7244	2.5825	2.5402	2.4654	2.4675	3.5926
C2	1.7324		2.4163	1.3037	2.2002	1.0790	3.4756	3.1990
C3	1.7244	2.4163		2.3272	1.3647	3.4740	1.0768	2.1740
N4	2.5825	1.3037	2.3272		1.3853	2.1007	3.3619	2.1299
C5	2.5402	2.2002	1.3647	1.3853		3.2341	2.1993	1.0787
H6	2.4654	1.0790	3.4740	2.1007	3.2341		4.5162	4.1752
H7	2.4675	3.4756	1.0768	3.3619	2.1993	4.5162		2.6528
H8	3.5926	3.1990	2.1740	2.1299	1.0787	4.1752	2.6528

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.829	S1	C2	H6	120.767
S1	C3	C5	110.089	S1	C3	H7	121.773
C2	S1	C3	88.693	C2	N4	C5	109.778
C3	C5	N4	115.611	C3	C5	H8	125.276
N4	C2	H6	123.404	N4	C5	H8	119.113
C5	C3	H7	128.138

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)