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	hartrees
Energy at 0K	-38.441449
Energy at 298.15K
HF Energy	-37.799050
Nuclear repulsion energy	76.306879

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3289	3122	1.89	99.50	0.25	0.40
2	A'	3265	3100	0.17	84.69	0.30	0.46
3	A'	3252	3088	5.01	72.22	0.52	0.68
4	A'	1493	1418	12.05	5.39	0.27	0.43
5	A'	1411	1340	36.70	19.07	0.19	0.32
6	A'	1357	1288	5.05	4.04	0.60	0.75
7	A'	1259	1195	12.51	1.88	0.42	0.59
8	A'	1155	1097	8.32	4.94	0.59	0.74
9	A'	1065	1011	9.09	9.99	0.21	0.35
10	A'	904	858	10.03	10.19	0.19	0.31
11	A'	890	845	43.27	7.48	0.17	0.29
12	A'	776	736	0.62	7.76	0.70	0.83
13	A'	620	588	0.67	10.80	0.50	0.67
14	A"	853	810	1.87	1.38	0.75	0.86
15	A"	786	747	97.58	0.07	0.75	0.86
16	A"	707	671	10.38	3.22	0.75	0.86
17	A"	609	578	11.35	2.31	0.75	0.86
18	A"	463	440	0.22	0.27	0.75	0.86

Atom	x (Å)	y (Å)
S1	0.000	1.198
C2	-1.209	-0.063
C3	1.235	-0.015
N4	-0.744	-1.310
C5	0.641	-1.288
H6	-2.275	0.185
H7	2.295	0.242
H8	1.193	-2.232

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7477	1.7313	2.6169	2.5675	2.4900	2.4862	3.6320
C2	1.7477		2.4446	1.3310	2.2188	1.0938	3.5178	3.2364
C3	1.7313	2.4446		2.3652	1.4043	3.5150	1.0912	2.2174
N4	2.6169	1.3310	2.3652		1.3855	2.1398	3.4132	2.1453
C5	2.5675	2.2188	1.4043	1.3855		3.2666	2.2533	1.0938
H6	2.4900	1.0938	3.5150	2.1398	3.2666		4.5701	4.2270
H7	2.4862	3.5178	1.0912	3.4132	2.2533	4.5701		2.7090
H8	3.6320	3.2364	2.2174	2.1453	1.0938	4.2270	2.7090

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.763	S1	C2	H6	120.647
S1	C3	C5	109.494	S1	C3	H7	121.840
C2	S1	C3	89.282	C2	N4	C5	109.514
C3	C5	N4	115.947	C3	C5	H8	124.692
N4	C2	H6	123.590	N4	C5	H8	119.361
C5	C3	H7	128.666

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: MP2/CEP-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: MP2/CEP-31G*

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)