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	hartrees
Energy at 0K
Energy at 298.15K	0.063728
HF Energy	0.063728
Nuclear repulsion energy	93.516138

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2771	2943	150.91
2	A'	2753	2924	151.63
3	A'	2740	2911	239.05
4	A'	1598	1697	61.75
5	A'	1505	1599	113.64
6	A'	1304	1386	3.89
7	A'	1179	1252	15.77
8	A'	1117	1186	6.85
9	A'	1051	1117	0.60
10	A'	852	905	8.19
11	A'	761	809	156.21
12	A'	680	722	5.03
13	A'	574	610	19.44
14	A"	927	984	1.21
15	A"	864	918	10.11
16	A"	821	873	77.43
17	A"	517	549	20.24
18	A"	365	387	0.03

Atom	x (Å)	y (Å)
S1	0.000	1.187
C2	-1.247	-0.075
C3	1.243	-0.025
N4	-0.741	-1.283
C5	0.673	-1.265
H6	-2.302	0.170
H7	2.288	0.233
H8	1.183	-2.225

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7741	1.7363	2.5788	2.5429	2.5167	2.4789	3.6107
C2	1.7741		2.4912	1.3102	2.2596	1.0827	3.5487	3.2444
C3	1.7363	2.4912		2.3496	1.3650	3.5508	1.0761	2.2005
N4	2.5788	1.3102	2.3496		1.4144	2.1326	3.3874	2.1416
C5	2.5429	2.2596	1.3650	1.4144		3.3033	2.2029	1.0862
H6	2.5167	1.0827	3.5508	2.1326	3.3033		4.5906	4.2280
H7	2.4789	3.5487	1.0761	3.3874	2.2029	4.5906		2.6949
H8	3.6107	3.2444	2.2005	2.1416	1.0862	4.2280	2.6949

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	112.596	S1	C2	H6	121.617
S1	C3	C5	109.578	S1	C3	H7	121.860
C2	S1	C3	90.407	C2	N4	C5	112.005
C3	C5	N4	115.414	C3	C5	H8	127.354
N4	C2	H6	125.787	N4	C5	H8	117.232
C5	C3	H7	128.562

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: PM6

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: PM6

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)