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	hartrees
Energy at 0K	-568.138258
Energy at 298.15K
HF Energy	-567.313148
Nuclear repulsion energy	205.309189

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3324	3149	2.14
2	A'	3286	3113	0.23
3	A'	3281	3108	3.07
4	A'	1580	1496	23.03
5	A'	1477	1399	28.48
6	A'	1387	1314	5.89
7	A'	1296	1227	12.75
8	A'	1175	1113	3.67
9	A'	1084	1027	6.60
10	A'	909	861	16.50
11	A'	891	844	42.09
12	A'	783	741	1.14
13	A'	628	595	0.74
14	A"	940	891	0.00
15	A"	851	806	32.73
16	A"	767	726	21.35
17	A"	623	590	14.29
18	A"	477	451	0.00

Atom	x (Å)	y (Å)
S1	0.000	1.183
C2	-1.196	-0.066
C3	1.219	-0.032
N4	-0.739	-1.280
C5	0.640	-1.262
H6	-2.248	0.177
H7	2.267	0.217
H8	1.175	-2.200

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7287	1.7210	2.5714	2.5269	2.4628	2.4643	3.5811
C2	1.7287		2.4150	1.2972	2.1908	1.0803	3.4743	3.1898
C3	1.7210	2.4150		2.3223	1.3594	3.4737	1.0772	2.1686
N4	2.5714	1.2972	2.3223		1.3792	2.0978	3.3585	2.1237
C5	2.5269	2.1908	1.3594	1.3792		3.2268	2.1989	1.0801
H6	2.4628	1.0803	3.4737	2.0978	3.2268		4.5156	4.1677
H7	2.4643	3.4743	1.0772	3.3585	2.1989	4.5156		2.6525
H8	3.5811	3.1898	2.1686	2.1237	1.0801	4.1677	2.6525

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.642	S1	C2	H6	120.756
S1	C3	C5	109.674	S1	C3	H7	121.737
C2	S1	C3	88.863	C2	N4	C5	109.841
C3	C5	N4	115.981	C3	C5	H8	125.085
N4	C2	H6	123.602	N4	C5	H8	118.934
C5	C3	H7	128.590

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: CCD/6-31G(2df,p)

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: CCD/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)