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	hartrees
Energy at 0K	-568.069584
Energy at 298.15K
HF Energy	-567.317171
Nuclear repulsion energy	202.627820

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3271	3201
2	A'	3237	3168
3	A'	3235	3166
4	A'	1528	1496
5	A'	1443	1412
6	A'	1347	1318
7	A'	1255	1228
8	A'	1141	1117
9	A'	1054	1031
10	A'	879	860
11	A'	868	850
12	A'	754	738
13	A'	610	597
14	A"	878	859
15	A"	802	785
16	A"	721	706
17	A"	598	586
18	A"	455	446

Atom	x (Å)	y (Å)
S1	0.000	1.203
C2	-1.205	-0.071
C3	1.231	-0.030
N4	-0.747	-1.304
C5	0.644	-1.280
H6	-2.272	0.175
H7	2.294	0.222
H8	1.192	-2.227

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7538	1.7418	2.6157	2.5646	2.4943	2.4948	3.6310
C2	1.7538		2.4360	1.3150	2.2087	1.0953	3.5112	3.2240
C3	1.7418	2.4360		2.3524	1.3806	3.5090	1.0928	2.1972
N4	2.6157	1.3150	2.3524		1.3910	2.1244	3.4022	2.1478
C5	2.5646	2.2087	1.3806	1.3910		3.2588	2.2310	1.0946
H6	2.4943	1.0953	3.5090	2.1244	3.2588		4.5666	4.2157
H7	2.4948	3.5112	1.0928	3.4022	2.2310	4.5666		2.6850
H8	3.6310	3.2240	2.1972	2.1478	1.0946	4.2157	2.6850

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	116.210	S1	C2	H6	120.430
S1	C3	C5	109.902	S1	C3	H7	121.623
C2	S1	C3	88.352	C2	N4	C5	109.386
C3	C5	N4	116.151	C3	C5	H8	124.767
N4	C2	H6	123.361	N4	C5	H8	119.082
C5	C3	H7	128.475

All results from a given calculation for C₃H₃NS (Thiazole)

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

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)