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	hartrees
Energy at 0K	-564.826718
Energy at 298.15K
HF Energy	-564.363422
Nuclear repulsion energy	198.064938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3291	3200	2.07
2	A'	3263	3173	2.23
3	A'	3248	3158	1.62
4	A'	1535	1493	10.25
5	A'	1472	1432	44.71
6	A'	1349	1312	15.24
7	A'	1261	1226	14.32
8	A'	1167	1135	4.95
9	A'	987	960	1.55
10	A'	865	841	17.90
11	A'	793	771	46.73
12	A'	652	634	4.27
13	A'	555	539	16.49
14	A"	956	930	0.85
15	A"	841	818	39.21
16	A"	788	766	46.90
17	A"	605	588	17.70
18	A"	447	434	0.97

Atom	x (Å)	y (Å)
S1	0.000	1.253
C2	-1.253	-0.118
C3	1.254	-0.067
N4	-0.754	-1.317
C5	0.678	-1.296
H6	-2.306	0.124
H7	2.308	0.170
H8	1.205	-2.242

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.8576	1.8205	2.6782	2.6382	2.5680	2.5490	3.6967
C2	1.8576		2.5070	1.2981	2.2618	1.0809	3.5721	3.2478
C3	1.8205	2.5070		2.3648	1.3577	3.5650	1.0803	2.1755
N4	2.6782	1.2981	2.3648		1.4320	2.1176	3.4035	2.1660
C5	2.6382	2.2618	1.3577	1.4320		3.3049	2.1926	1.0821
H6	2.5680	1.0809	3.5650	2.1176	3.3049		4.6141	4.2334
H7	2.5490	3.5721	1.0803	3.4035	2.1926	4.6141		2.6523
H8	3.6967	3.2478	2.1755	2.1660	1.0821	4.2334	2.6523

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	114.986	S1	C2	H6	119.476
S1	C3	C5	111.388	S1	C3	H7	120.837
C2	S1	C3	85.933	C2	N4	C5	111.795
C3	C5	N4	115.897	C3	C5	H8	125.784
N4	C2	H6	125.538	N4	C5	H8	118.319
C5	C3	H7	127.774

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: CCD/3-21G

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/3-21G

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)