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	hartrees
Energy at 0K	-608.172775
Energy at 298.15K	-608.178568
Nuclear repulsion energy	265.260617

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3225	3200	1.59
2	A	3214	3190	1.15
3	A	3065	3042	17.24
4	A	3030	3007	19.00
5	A	2975	2952	26.59
6	A	1533	1521	10.21
7	A	1486	1474	7.41
8	A	1482	1471	18.71
9	A	1444	1433	51.38
10	A	1424	1413	10.24
11	A	1279	1269	7.87
12	A	1211	1202	6.00
13	A	1135	1126	5.26
14	A	1073	1065	6.68
15	A	1018	1010	10.78
16	A	880	873	12.31
17	A	799	793	30.73
18	A	776	770	60.35
19	A	737	731	10.23
20	A	721	715	0.91
21	A	628	624	0.02
22	A	576	572	13.17
23	A	514	510	11.72
24	A	454	451	3.24
25	A	325	323	1.86
26	A	223	221	3.36
27	A	120	119	0.45

Atom	x (Å)	y (Å)	z (Å)
H1	1.532	2.109	0.000
C2	-0.986	-0.056	-0.000
C3	0.885	1.236	0.000
H4	-2.927	0.289	0.889
H5	-2.789	-1.256	-0.002
H6	-2.927	0.292	-0.887
C7	-2.489	-0.197	0.000
S8	1.642	-0.463	0.000
N9	-0.424	1.246	-0.000
H10	-0.248	-2.154	-0.000
C11	-0.067	-1.083	-0.000

	H1	C2	C3	H4	H5	H6	C7	S8	N9	H10	C11
H1		3.3204	1.0859	4.8970	5.4768	4.8957	4.6347	2.5741	2.1370	4.6194	3.5704
C2	3.3204		2.2740	2.1626	2.1664	2.1625	1.5094	2.6587	1.4185	2.2239	1.3780
C3	1.0859	2.2740		4.0273	4.4402	4.0264	3.6657	1.8599	1.3087	3.5746	2.5077
H4	4.8970	2.1626	4.0273		1.7887	1.7758	1.1039	4.7144	2.8238	3.7330	3.2939
H5	5.4768	2.1664	4.4402	1.7887		1.7888	1.1008	4.5015	3.4438	2.6955	2.7275
H6	4.8957	2.1625	4.0264	1.7758	1.7888		1.1039	4.7148	2.8222	3.7348	3.2950
C7	4.6347	1.5094	3.6657	1.1039	1.1008	1.1039		4.1386	2.5195	2.9748	2.5782
S8	2.5741	2.6587	1.8599	4.7144	4.5015	4.7148	4.1386		2.6805	2.5357	1.8181
N9	2.1370	1.4185	1.3087	2.8238	3.4438	2.8222	2.5195	2.6805		3.4047	2.3567
H10	4.6194	2.2239	3.5746	3.7330	2.6955	3.7348	2.9748	2.5357	3.4047		1.0856
C11	3.5704	1.3780	2.5077	3.2939	2.7275	3.2950	2.5782	1.8181	2.3567	1.0856

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	S8	119.472	H1	C3	N9	126.099
C2	C7	H4	110.745	C2	C7	H5	111.228
C2	C7	H6	110.736	C2	N9	C3	112.920
C2	C11	S8	111.838	C2	C11	H10	128.635
C3	S8	C11	85.963	H4	C7	H5	108.448
H4	C7	H6	107.093	H5	C7	H6	108.455
C7	C2	N9	118.719	C7	C2	C11	126.431
S8	C3	N9	114.429	S8	C11	H10	119.527
N9	C2	C11	114.850

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

using model chemistry: BLYP/6-31G

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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Number	Element	Mulliken
1	H	0.162
2	C	0.263
3	C	-0.207
4	H	0.151
5	H	0.127
6	H	0.151
7	C	-0.408
8	S	0.342
9	N	-0.293
10	H	0.148
11	C	-0.438

	x	y	z	Total
	-0.332	-1.010	0.000	1.063
CHELPG
AIM
ESP

<r²>	188.772
(<r²>)^1/2	13.739

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

using model chemistry: BLYP/6-31G

States and conformations

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