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	hartrees
Energy at 0K	-568.248084
Energy at 298.15K
HF Energy	-567.384554
Nuclear repulsion energy	205.605123

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3297	3297	1.37
2	A'	3261	3261	0.95
3	A'	3258	3258	2.51
4	A'	1565	1565	22.37
5	A'	1461	1461	23.82
6	A'	1381	1381	7.60
7	A'	1293	1293	11.65
8	A'	1165	1165	4.92
9	A'	1079	1079	6.98
10	A'	906	906	14.28
11	A'	888	888	37.91
12	A'	778	778	0.66
13	A'	626	626	0.66
14	A"	931	931	0.18
15	A"	844	844	39.03
16	A"	756	756	26.52
17	A"	621	621	17.13
18	A"	477	477	0.01

Atom	x (Å)	y (Å)
S1	0.000	1.180
C2	-1.194	-0.063
C3	1.217	-0.031
N4	-0.739	-1.278
C5	0.639	-1.262
H6	-2.244	0.178
H7	2.264	0.215
H8	1.175	-2.197

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7236	1.7167	2.5671	2.5244	2.4578	2.4610	3.5760
C2	1.7236		2.4108	1.2975	2.1901	1.0782	3.4686	3.1881
C3	1.7167	2.4108		2.3197	1.3600	3.4676	1.0753	2.1670
N4	2.5671	1.2975	2.3197		1.3780	2.0951	3.3532	2.1227
C5	2.5244	2.1901	1.3600	1.3780		3.2233	2.1955	1.0778
H6	2.4578	1.0782	3.4676	2.0951	3.2233		4.5083	4.1635
H7	2.4610	3.4686	1.0753	3.3532	2.1955	4.5083		2.6465
H8	3.5760	3.1881	2.1670	2.1227	1.0778	4.1635	2.6465

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.642	S1	C2	H6	120.878
S1	C3	C5	109.724	S1	C3	H7	121.940
C2	S1	C3	88.971	C2	N4	C5	109.846
C3	C5	N4	115.816	C3	C5	H8	125.068
N4	C2	H6	123.479	N4	C5	H8	119.116
C5	C3	H7	128.336

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: CCSD/Def2TZVPP

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: CCSD/Def2TZVPP

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)