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	hartrees
Energy at 0K	-568.070354
Energy at 298.15K
HF Energy	-567.340870
Nuclear repulsion energy	204.419810

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3267	3127	2.29
2	A'	3233	3096	2.02
3	A'	3231	3094	4.03
4	A'	1564	1498	24.37
5	A'	1472	1409	31.14
6	A'	1374	1316	7.99
7	A'	1288	1233	11.56
8	A'	1162	1113	6.74
9	A'	1080	1034	8.30
10	A'	904	866	10.46
11	A'	887	849	47.51
12	A'	772	739	0.48
13	A'	628	601	1.21
14	A"	879	842	0.27
15	A"	810	775	51.72
16	A"	722	692	25.69
17	A"	603	577	22.38
18	A"	462	442	0.07

Atom	x (Å)	y (Å)
S1	0.000	1.191
C2	-1.196	-0.068
C3	1.220	-0.032
N4	-0.743	-1.288
C5	0.643	-1.269
H6	-2.254	0.175
H7	2.273	0.219
H8	1.181	-2.211

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7369	1.7278	2.5877	2.5426	2.4725	2.4722	3.6012
C2	1.7369		2.4169	1.3011	2.1962	1.0856	3.4815	3.2006
C3	1.7278	2.4169		2.3304	1.3652	3.4807	1.0827	2.1792
N4	2.5877	1.3011	2.3304		1.3855	2.1036	3.3718	2.1341
C5	2.5426	2.1962	1.3652	1.3855		3.2369	2.2080	1.0851
H6	2.4725	1.0856	3.4807	2.1036	3.2369		4.5278	4.1830
H7	2.4722	3.4815	1.0827	3.3718	2.2080	4.5278		2.6645
H8	3.6012	3.2006	2.1792	2.1341	1.0851	4.1830	2.6645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	116.072	S1	C2	H6	120.566
S1	C3	C5	110.028	S1	C3	H7	121.491
C2	S1	C3	88.466	C2	N4	C5	109.622
C3	C5	N4	115.812	C3	C5	H8	125.192
N4	C2	H6	123.362	N4	C5	H8	118.996
C5	C3	H7	128.480

All results from a given calculation for C₃H₃NS (Thiazole)

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

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)