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	hartrees
Energy at 0K	-603.905597
Energy at 298.15K	-603.911621
HF Energy	-603.306374
Nuclear repulsion energy	270.364012

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3285	3125	2.53
2	A	3276	3116	1.27
3	A	3167	3013	10.38
4	A	3159	3005	10.37
5	A	3090	2939	13.62
6	A	1603	1525	8.16
7	A	1580	1503	6.03
8	A	1515	1441	6.56
9	A	1491	1419	4.29
10	A	1360	1294	14.30
11	A	1294	1231	22.38
12	A	1276	1214	11.43
13	A	1187	1129	2.83
14	A	1134	1079	4.79
15	A	1055	1003	12.09
16	A	895	851	29.29
17	A	891	847	19.26
18	A	832	791	56.73
19	A	825	785	11.06
20	A	764	727	8.08
21	A	667	635	5.88
22	A	658	626	0.07
23	A	561	533	4.38
24	A	494	470	1.74
25	A	330	314	2.57
26	A	231	220	5.13
27	A	95	90	0.37

Atom	x (Å)	y (Å)	z (Å)
H1	1.603	2.018	0.000
C2	-0.967	-0.040	-0.000
C3	0.937	1.168	0.000
H4	-2.893	0.306	0.889
H5	-2.757	-1.231	-0.003
H6	-2.894	0.311	-0.886
C7	-2.471	-0.175	0.000
S8	1.576	-0.462	0.000
N9	-0.390	1.256	-0.000
H10	-0.250	-2.128	-0.000
C11	-0.047	-1.066	-0.000

	H1	C2	C3	H4	H5	H6	C7	S8	N9	H10	C11
H1		3.2927	1.0802	4.8926	5.4378	4.8907	4.6264	2.4800	2.1332	4.5412	3.4980
C2	3.2927		2.2550	2.1491	2.1502	2.1489	1.5095	2.5778	1.4192	2.2079	1.3786
C3	1.0802	2.2550		4.0254	4.4049	4.0241	3.6627	1.7500	1.3297	3.5027	2.4411
H4	4.8926	2.1491	4.0254		1.7820	1.7745	1.0950	4.6207	2.8216	3.7016	3.2824
H5	5.4378	2.1502	4.4049	1.7820		1.7820	1.0947	4.4009	3.4342	2.6633	2.7154
H6	4.8907	2.1489	4.0241	1.7745	1.7820		1.0950	4.6214	2.8194	3.7044	3.2840
C7	4.6264	1.5095	3.6627	1.0950	1.0947	1.0950		4.0568	2.5257	2.9579	2.5827
S8	2.4800	2.5778	1.7500	4.6207	4.4009	4.6214	4.0568		2.6105	2.4715	1.7317
N9	2.1332	1.4192	1.3297	2.8216	3.4342	2.8194	2.5257	2.6105		3.3872	2.3479
H10	4.5412	2.2079	3.5027	3.7016	2.6633	3.7044	2.9579	2.4715	3.3872		1.0808
C11	3.4980	1.3786	2.4411	3.2824	2.7154	3.2840	2.5827	1.7317	2.3479	1.0808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	S8	120.542	H1	C3	N9	124.224
C2	C7	H4	110.196	C2	C7	H5	110.293
C2	C7	H6	110.182	C2	N9	C3	110.191
C2	C11	S8	111.447	C2	C11	H10	127.309
C3	S8	C11	89.031	H4	C7	H5	108.938
H4	C7	H6	108.245	H5	C7	H6	108.941
C7	C2	N9	119.137	C7	C2	C11	126.766
S8	C3	N9	115.234	S8	C11	H10	121.244
N9	C2	C11	114.097

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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