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	hartrees
Energy at 0K	-568.394999
Energy at 298.15K
HF Energy	-567.382610
Nuclear repulsion energy	205.171043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3296	3154
2	A'	3255	3115
3	A'	3248	3108
4	A'	1534	1468
5	A'	1439	1377
6	A'	1363	1304
7	A'	1275	1220
8	A'	1159	1109
9	A'	1068	1022
10	A'	891	853
11	A'	877	839
12	A'	765	732
13	A'	617	590
14	A"	926	886
15	A"	838	802
16	A"	754	721
17	A"	619	592
18	A"	473	453

Atom	x (Å)	y (Å)
S1	0.000	1.185
C2	-1.197	-0.067
C3	1.219	-0.031
N4	-0.737	-1.284
C5	0.638	-1.264
H6	-2.243	0.176
H7	2.261	0.216
H8	1.177	-2.194

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7320	1.7221	2.5775	2.5315	2.4598	2.4604	3.5787
C2	1.7320		2.4155	1.3016	2.1909	1.0744	3.4692	3.1874
C3	1.7221	2.4155		2.3226	1.3627	3.4680	1.0714	2.1631
N4	2.5775	1.3016	2.3226		1.3752	2.0980	3.3524	2.1192
C5	2.5315	2.1909	1.3627	1.3752		3.2212	2.1964	1.0747
H6	2.4598	1.0744	3.4680	2.0980	3.2212		4.5045	4.1612
H7	2.4604	3.4692	1.0714	3.3524	2.1964	4.5045		2.6423
H8	3.5787	3.1874	2.1631	2.1192	1.0747	4.1612	2.6423

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.623	S1	C2	H6	120.638
S1	C3	C5	109.745	S1	C3	H7	121.713
C2	S1	C3	88.741	C2	N4	C5	109.838
C3	C5	N4	116.053	C3	C5	H8	124.686
N4	C2	H6	123.739	N4	C5	H8	119.260
C5	C3	H7	128.542

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: QCISD(T)=FULL/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: QCISD(T)=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)