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	hartrees
Energy at 0K	-568.073704
Energy at 298.15K
HF Energy	-567.331077
Nuclear repulsion energy	203.275102

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3313	3313	1.33
2	A'	3280	3280	0.21
3	A'	3277	3277	2.77
4	A'	1561	1561	20.69
5	A'	1463	1463	35.67
6	A'	1367	1367	4.01
7	A'	1272	1272	11.59
8	A'	1154	1154	3.44
9	A'	1070	1070	6.19
10	A'	897	897	13.95
11	A'	877	877	39.28
12	A'	765	765	0.68
13	A'	622	622	1.03
14	A"	919	919	0.32
15	A"	827	827	42.19
16	A"	748	748	27.54
17	A"	609	609	14.29
18	A"	461	461	0.00

Atom	x (Å)	y (Å)
S1	0.000	1.197
C2	-1.206	-0.068
C3	1.230	-0.034
N4	-0.746	-1.292
C5	0.645	-1.278
H6	-2.266	0.178
H7	2.287	0.217
H8	1.186	-2.221

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7477	1.7401	2.5984	2.5572	2.4847	2.4879	3.6184
C2	1.7477		2.4362	1.3080	2.2109	1.0884	3.5045	3.2188
C3	1.7401	2.4362		2.3423	1.3747	3.5027	1.0863	2.1880
N4	2.5984	1.3080	2.3423		1.3903	2.1153	3.3873	2.1437
C5	2.5572	2.2109	1.3747	1.3903		3.2546	2.2207	1.0881
H6	2.4847	1.0884	3.5027	2.1153	3.2546		4.5533	4.2045
H7	2.4879	3.5045	1.0863	3.3873	2.2207	4.5533		2.6754
H8	3.6184	3.2188	2.1880	2.1437	1.0881	4.2045	2.6754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.755	S1	C2	H6	120.564
S1	C3	C5	109.816	S1	C3	H7	121.622
C2	S1	C3	88.615	C2	N4	C5	110.013
C3	C5	N4	115.801	C3	C5	H8	124.943
N4	C2	H6	123.681	N4	C5	H8	119.256
C5	C3	H7	128.562

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: MP3/daug-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: MP3/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)