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	hartrees
Energy at 0K	-607.461736
Energy at 298.15K	-607.467822
HF Energy	-606.438295
Nuclear repulsion energy	274.728116

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3288	3129	1.63
2	A	3265	3107	0.03
3	A	3183	3028	8.58
4	A	3166	3013	6.71
5	A	3084	2935	17.50
6	A	1544	1469	17.46
7	A	1494	1422	17.24
8	A	1491	1419	6.82
9	A	1422	1353	20.68
10	A	1405	1337	16.14
11	A	1357	1291	9.32
12	A	1257	1196	0.65
13	A	1170	1113	3.12
14	A	1064	1013	1.26
15	A	1011	962	6.64
16	A	954	908	14.90
17	A	920	875	26.99
18	A	871	828	8.57
19	A	807	768	47.75
20	A	729	694	3.29
21	A	689	656	1.21
22	A	651	620	0.04
23	A	563	536	0.50
24	A	500	476	1.70
25	A	329	314	2.59
26	A	234	223	4.37
27	A	114	108	0.45

Atom	x (Å)	y (Å)	z (Å)
H1	1.570	2.006	0.001
C2	-0.949	-0.033	0.000
C3	0.914	1.150	0.001
H4	-2.859	0.308	0.878
H5	-2.727	-1.221	-0.000
H6	-2.858	0.308	-0.879
C7	-2.434	-0.174	-0.000
S8	1.555	-0.446	-0.001
N9	-0.393	1.224	-0.000
H10	-0.229	-2.120	0.002
C11	-0.037	-1.061	0.001

	H1	C2	C3	H4	H5	H6	C7	S8	N9	H10	C11
H1		3.2409	1.0786	4.8235	5.3736	4.8237	4.5588	2.4525	2.1131	4.5016	3.4626
C2	3.2409		2.2068	2.1299	2.1381	2.1300	1.4919	2.5379	1.3743	2.2077	1.3734
C3	1.0786	2.2068		3.9639	4.3447	3.9642	3.6002	1.7202	1.3091	3.4642	2.4067
H4	4.8235	2.1299	3.9639		1.7688	1.7579	1.0885	4.5637	2.7731	3.6856	3.2564
H5	5.3736	2.1381	4.3447	1.7688		1.7688	1.0877	4.3515	3.3797	2.6548	2.6940
H6	4.8237	2.1300	3.9642	1.7579	1.7688		1.0885	4.5632	2.7730	3.6863	3.2569
C7	4.5588	1.4919	3.6002	1.0885	1.0877	1.0885		3.9988	2.4735	2.9417	2.5557
S8	2.4525	2.5379	1.7202	4.5637	4.3515	4.5632	3.9988		2.5660	2.4466	1.7072
N9	2.1131	1.3743	1.3091	2.7731	3.3797	2.7730	2.4735	2.5660		3.3480	2.3119
H10	4.5016	2.2077	3.4642	3.6856	2.6548	3.6863	2.9417	2.4466	3.3480		1.0768
C11	3.4626	1.3734	2.4067	3.2564	2.6940	3.2569	2.5557	1.7072	2.3119	1.0768

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	S8	120.666	H1	C3	N9	124.217
C2	C7	H4	110.283	C2	C7	H5	110.993
C2	C7	H6	110.285	C2	N9	C3	110.626
C2	C11	S8	110.478	C2	C11	H10	128.185
C3	S8	C11	89.208	H4	C7	H5	108.744
H4	C7	H6	107.706	H5	C7	H6	108.746
C7	C2	N9	119.244	C7	C2	C11	126.184
S8	C3	N9	115.116	S8	C11	H10	121.338
N9	C2	C11	114.572

All results from a given calculation for C₄H₅NS (4-Methylthiazole)

using model chemistry: MP2/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 C4H5NS (4-Methylthiazole)

using model chemistry: MP2/Def2TZVPP

States and conformations

All results from a given calculation for C₄H₅NS (4-Methylthiazole)