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	hartrees
Energy at 0K	-568.001133
Energy at 298.15K
HF Energy	-567.292797
Nuclear repulsion energy	204.776731

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3353	3144	1.90
2	A'	3316	3109	1.18
3	A'	3311	3105	5.63
4	A'	1600	1500	20.36
5	A'	1504	1411	36.55
6	A'	1407	1319	7.20
7	A'	1317	1235	10.64
8	A'	1184	1111	3.97
9	A'	1099	1030	7.07
10	A'	919	862	12.52
11	A'	900	844	43.97
12	A'	784	735	1.16
13	A'	636	597	1.09
14	A"	905	849	0.15
15	A"	832	780	39.62
16	A"	750	703	20.94
17	A"	609	571	15.72
18	A"	469	440	0.00

Atom	x (Å)	y (Å)
S1	0.000	1.188
C2	-1.196	-0.067
C3	1.218	-0.033
N4	-0.742	-1.286
C5	0.643	-1.267
H6	-2.247	0.176
H7	2.266	0.214
H8	1.181	-2.202

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7337	1.7248	2.5829	2.5381	2.4649	2.4665	3.5900
C2	1.7337		2.4149	1.3014	2.1964	1.0788	3.4735	3.1958
C3	1.7248	2.4149		2.3263	1.3619	3.4722	1.0761	2.1695
N4	2.5829	1.3014	2.3263		1.3847	2.0989	3.3606	2.1299
C5	2.5381	2.1964	1.3619	1.3847		3.2308	2.1970	1.0787
H6	2.4649	1.0788	3.4722	2.0989	3.2308		4.5135	4.1728
H7	2.4665	3.4735	1.0761	3.3606	2.1970	4.5135		2.6480
H8	3.5900	3.1958	2.1695	2.1299	1.0787	4.1728	2.6480

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.913	S1	C2	H6	120.632
S1	C3	C5	110.069	S1	C3	H7	121.698
C2	S1	C3	88.574	C2	N4	C5	109.675
C3	C5	N4	115.769	C3	C5	H8	125.070
N4	C2	H6	123.455	N4	C5	H8	119.161
C5	C3	H7	128.233

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: CCD/6-31G**

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**

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)