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	hartrees
Energy at 0K	-568.296276
Energy at 298.15K
HF Energy	-567.381613
Nuclear repulsion energy	204.483802

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3272	3190
2	A'	3235	3154
3	A'	3233	3151
4	A'	1520	1482
5	A'	1425	1390
6	A'	1352	1318
7	A'	1266	1235
8	A'	1148	1119
9	A'	1060	1033
10	A'	887	864
11	A'	873	851
12	A'	761	742
13	A'	613	597
14	A"	903	880
15	A"	818	797
16	A"	733	714
17	A"	609	594
18	A"	467	456

Atom	x (Å)	y (Å)
S1	0.000	1.189
C2	-1.200	-0.067
C3	1.223	-0.030
N4	-0.740	-1.289
C5	0.640	-1.268
H6	-2.252	0.177
H7	2.271	0.219
H8	1.181	-2.203

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7366	1.7268	2.5864	2.5391	2.4688	2.4691	3.5916
C2	1.7366		2.4227	1.3061	2.1976	1.0801	3.4821	3.1986
C3	1.7268	2.4227		2.3319	1.3678	3.4809	1.0773	2.1729
N4	2.5864	1.3061	2.3319		1.3808	2.1061	3.3677	2.1273
C5	2.5391	2.1976	1.3678	1.3808		3.2333	2.2068	1.0799
H6	2.4688	1.0801	3.4809	2.1061	3.2333		4.5228	4.1772
H7	2.4691	3.4821	1.0773	3.3677	2.2068	4.5228		2.6560
H8	3.5916	3.1986	2.1729	2.1273	1.0799	4.1772	2.6560

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.709	S1	C2	H6	120.654
S1	C3	C5	109.723	S1	C3	H7	121.678
C2	S1	C3	88.774	C2	N4	C5	109.717
C3	C5	N4	116.076	C3	C5	H8	124.765
N4	C2	H6	123.637	N4	C5	H8	119.158
C5	C3	H7	128.599

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: CCSD(T)/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: CCSD(T)/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)