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	hartrees
Energy at 0K	-568.240399
Energy at 298.15K
HF Energy	-567.383117
Nuclear repulsion energy	205.492137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3302	3084	1.60
2	A'	3263	3046	1.73
3	A'	3260	3044	1.96
4	A'	1575	1471	21.51
5	A'	1470	1372	28.30
6	A'	1385	1293	6.76
7	A'	1293	1207	11.97
8	A'	1168	1090	4.22
9	A'	1082	1011	6.59
10	A'	911	850	14.95
11	A'	890	831	39.48
12	A'	781	729	0.92
13	A'	629	587	0.65
14	A"	939	877	0.08
15	A"	849	793	37.42
16	A"	762	711	27.66
17	A"	624	583	16.65
18	A"	478	446	0.01

Atom	x (Å)	y (Å)
S1	0.000	1.182
C2	-1.194	-0.065
C3	1.217	-0.033
N4	-0.738	-1.279
C5	0.639	-1.262
H6	-2.245	0.177
H7	2.264	0.212
H8	1.175	-2.197

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7272	1.7201	2.5695	2.5265	2.4598	2.4635	3.5776
C2	1.7272		2.4118	1.2960	2.1890	1.0781	3.4695	3.1868
C3	1.7201	2.4118		2.3191	1.3587	3.4685	1.0750	2.1644
N4	2.5695	1.2960	2.3191		1.3774	2.0944	3.3523	2.1225
C5	2.5265	2.1890	1.3587	1.3774		3.2225	2.1940	1.0776
H6	2.4598	1.0781	3.4685	2.0944	3.2225		4.5091	4.1627
H7	2.4635	3.4695	1.0750	3.3523	2.1940	4.5091		2.6432
H8	3.5776	3.1868	2.1644	2.1225	1.0776	4.1627	2.6432

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.676	S1	C2	H6	120.769
S1	C3	C5	109.740	S1	C3	H7	121.913
C2	S1	C3	88.796	C2	N4	C5	109.890
C3	C5	N4	115.899	C3	C5	H8	124.946
N4	C2	H6	123.556	N4	C5	H8	119.155
C5	C3	H7	128.347

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: CCD/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)