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	hartrees
Energy at 0K	-567.623263
Energy at 298.15K
HF Energy	-567.158598
Nuclear repulsion energy	198.261111

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3286	3153	2.21
2	A'	3274	3141	1.23
3	A'	3244	3113	2.61
4	A'	1550	1487	13.71
5	A'	1484	1424	51.70
6	A'	1350	1295	9.00
7	A'	1276	1224	15.77
8	A'	1162	1115	3.59
9	A'	1024	983	3.37
10	A'	879	844	16.66
11	A'	809	776	43.34
12	A'	674	647	4.09
13	A'	581	558	10.04
14	A"	886	850	1.29
15	A"	804	772	47.00
16	A"	748	718	31.10
17	A"	592	568	21.80
18	A"	442	424	0.92

Atom	x (Å)	y (Å)
S1	0.000	1.249
C2	-1.246	-0.103
C3	1.255	-0.067
N4	-0.753	-1.314
C5	0.670	-1.304
H6	-2.304	0.137
H7	2.310	0.183
H8	1.195	-2.255

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.8385	1.8180	2.6715	2.6392	2.5581	2.5439	3.7021
C2	1.8385		2.5014	1.3083	2.2620	1.0843	3.5679	3.2548
C3	1.8180	2.5014		2.3638	1.3682	3.5644	1.0845	2.1891
N4	2.6715	1.3083	2.3638		1.4233	2.1240	3.4096	2.1633
C5	2.6392	2.2620	1.3682	1.4233		3.3048	2.2137	1.0864
H6	2.5581	1.0843	3.5644	2.1240	3.3048		4.6141	4.2384
H7	2.5439	3.5679	1.0845	3.4096	2.2137	4.6141		2.6813
H8	3.7021	3.2548	2.1891	2.1633	1.0864	4.2384	2.6813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.161	S1	C2	H6	119.914
S1	C3	C5	111.069	S1	C3	H7	120.306
C2	S1	C3	86.326	C2	N4	C5	111.734
C3	C5	N4	115.710	C3	C5	H8	125.825
N4	C2	H6	124.925	N4	C5	H8	118.464
C5	C3	H7	128.625

All results from a given calculation for C₃H₃NS (Thiazole)

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

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)