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	hartrees
Energy at 0K	-568.091167
Energy at 298.15K
HF Energy	-567.346896
Nuclear repulsion energy	204.613831

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3288	3288	1.74
2	A'	3251	3251	1.78
3	A'	3249	3249	3.46
4	A'	1566	1566	24.35
5	A'	1472	1472	32.06
6	A'	1378	1378	7.16
7	A'	1291	1291	11.12
8	A'	1164	1164	5.66
9	A'	1082	1082	7.30
10	A'	907	907	10.89
11	A'	891	891	45.18
12	A'	776	776	0.65
13	A'	631	631	0.92
14	A"	895	895	0.16
15	A"	820	820	44.43
16	A"	732	732	24.98
17	A"	604	604	19.43
18	A"	462	462	0.07

Atom	x (Å)	y (Å)
S1	0.000	1.189
C2	-1.195	-0.067
C3	1.219	-0.032
N4	-0.742	-1.287
C5	0.642	-1.269
H6	-2.251	0.179
H7	2.270	0.219
H8	1.181	-2.208

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7342	1.7256	2.5853	2.5407	2.4672	2.4691	3.5972
C2	1.7342		2.4143	1.3008	2.1948	1.0840	3.4771	3.1984
C3	1.7256	2.4143		2.3288	1.3652	3.4761	1.0808	2.1768
N4	2.5853	1.3008	2.3288		1.3843	2.1029	3.3683	2.1330
C5	2.5407	2.1948	1.3652	1.3843		3.2343	2.2060	1.0833
H6	2.4672	1.0840	3.4761	2.1029	3.2343		4.5212	4.1803
H7	2.4691	3.4771	1.0808	3.3683	2.2060	4.5212		2.6605
H8	3.5972	3.1984	2.1768	2.1330	1.0833	4.1803	2.6605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	116.093	S1	C2	H6	120.435
S1	C3	C5	110.030	S1	C3	H7	121.528
C2	S1	C3	88.503	C2	N4	C5	109.607
C3	C5	N4	115.767	C3	C5	H8	125.113
N4	C2	H6	123.472	N4	C5	H8	119.120
C5	C3	H7	128.441

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: CCSD/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: CCSD/6-311G**

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)