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	hartrees
Energy at 0K	-567.943499
Energy at 298.15K
HF Energy	-567.342662
Nuclear repulsion energy	206.163150

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3370	3131	2.30
2	A'	3335	3099	2.93
3	A'	3332	3096	3.28
4	A'	1640	1523	29.33
5	A'	1530	1421	35.98
6	A'	1433	1331	8.32
7	A'	1337	1242	12.08
8	A'	1205	1119	7.27
9	A'	1123	1044	9.41
10	A'	942	875	13.00
11	A'	919	854	48.58
12	A'	805	748	1.05
13	A'	655	609	0.97
14	A"	954	886	0.03
15	A"	867	805	45.96
16	A"	773	718	33.50
17	A"	637	591	23.72
18	A"	486	451	0.00

Atom	x (Å)	y (Å)
S1	0.000	1.179
C2	-1.189	-0.065
C3	1.214	-0.035
N4	-0.737	-1.271
C5	0.637	-1.259
H6	-2.240	0.175
H7	2.260	0.211
H8	1.169	-2.195

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7211	1.7162	2.5587	2.5195	2.4546	2.4583	3.5709
C2	1.7211		2.4030	1.2879	2.1819	1.0777	3.4599	3.1778
C3	1.7162	2.4030		2.3099	1.3530	3.4598	1.0744	2.1610
N4	2.5587	1.2879	2.3099		1.3747	2.0854	3.3434	2.1186
C5	2.5195	2.1819	1.3530	1.3747		3.2145	2.1889	1.0770
H6	2.4546	1.0777	3.4598	2.0854	3.2145		4.4996	4.1519
H7	2.4583	3.4599	1.0744	3.3434	2.1889	4.4996		2.6415
H8	3.5709	3.1778	2.1610	2.1186	1.0770	4.1519	2.6415

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.752	S1	C2	H6	120.832
S1	C3	C5	109.786	S1	C3	H7	121.804
C2	S1	C3	88.709	C2	N4	C5	110.017
C3	C5	N4	115.735	C3	C5	H8	125.195
N4	C2	H6	123.415	N4	C5	H8	119.069
C5	C3	H7	128.410

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: CID/6-311G*

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: CID/6-311G*

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)