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	hartrees
Energy at 0K	-606.391440
Energy at 298.15K	-606.397877
Nuclear repulsion energy	275.233927

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3421	3094	3.00
2	A	3390	3066	5.65
3	A	3266	2954	30.71
4	A	3247	2937	28.98
5	A	3192	2887	33.77
6	A	1754	1587	50.39
7	A	1646	1489	50.34
8	A	1619	1465	6.40
9	A	1610	1456	6.52
10	A	1552	1403	3.17
11	A	1470	1330	27.89
12	A	1370	1239	1.49
13	A	1265	1144	6.91
14	A	1171	1059	2.37
15	A	1111	1005	5.44
16	A	1023	925	22.99
17	A	952	861	29.57
18	A	929	840	42.33
19	A	896	810	4.78
20	A	838	758	25.50
21	A	724	655	1.90
22	A	712	644	1.33
23	A	593	537	3.19
24	A	517	468	5.81
25	A	354	320	2.55
26	A	250	226	5.23
27	A	153	138	0.42

Atom	x (Å)	y (Å)	z (Å)
H1	1.531	2.013	-0.001
C2	-0.939	-0.049	-0.000
C3	0.895	1.148	0.000
H4	-2.848	0.323	0.875
H5	-2.748	-1.200	-0.001
H6	-2.848	0.325	-0.874
C7	-2.432	-0.164	0.000
S8	1.561	-0.443	0.000
N9	-0.374	1.213	-0.000
H10	-0.253	-2.111	-0.000
C11	-0.055	-1.059	-0.000

	H1	C2	C3	H4	H5	H6	C7	S8	N9	H10	C11
H1		3.2174	1.0732	4.7743	5.3503	4.7732	4.5212	2.4563	2.0663	4.4926	3.4571
C2	3.2174		2.1904	2.1324	2.1436	2.1324	1.4973	2.5305	1.3827	2.1727	1.3424
C3	1.0732	2.1904		3.9314	4.3339	3.9309	3.5765	1.7249	1.2713	3.4550	2.4031
H4	4.7743	2.1324	3.9314		1.7596	1.7491	1.0843	4.5590	2.7705	3.6634	3.2366
H5	5.3503	2.1436	4.3339	1.7596		1.7596	1.0828	4.3742	3.3843	2.6560	2.6965
H6	4.7732	2.1324	3.9309	1.7491	1.7596		1.0843	4.5595	2.7695	3.6647	3.2374
C7	4.5212	1.4973	3.5765	1.0843	1.0828	1.0843		4.0023	2.4758	2.9220	2.5401
S8	2.4563	2.5305	1.7249	4.5590	4.3742	4.5595	4.0023		2.5471	2.4633	1.7288
N9	2.0663	1.3827	1.2713	2.7705	3.3843	2.7695	2.4758	2.5471		3.3258	2.2946
H10	4.4926	2.1727	3.4550	3.6634	2.6560	3.6647	2.9220	2.4633	3.3258		1.0698
C11	3.4571	1.3424	2.4031	3.2366	2.6965	3.2374	2.5401	1.7288	2.2946	1.0698

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	S8	120.995	H1	C3	N9	123.389
C2	C7	H4	110.356	C2	C7	H5	111.352
C2	C7	H6	110.355	C2	N9	C3	111.177
C2	C11	S8	110.328	C2	C11	H10	128.140
C3	S8	C11	88.182	H4	C7	H5	108.573
H4	C7	H6	107.521	H5	C7	H6	108.576
C7	C2	N9	118.501	C7	C2	C11	126.800
S8	C3	N9	115.615	S8	C11	H10	121.532
N9	C2	C11	114.698

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

using model chemistry: HF/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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Number	Element	Mulliken	CHELPG	ESP
1	H	0.245	0.117	0.171
2	C	0.241	0.521	0.651
3	C	-0.147	0.217	0.115
4	H	0.232	0.141	0.202
5	H	0.216	0.094	0.156
6	H	0.232	0.141	0.202
7	C	-0.643	-0.464	-0.704
8	S	0.248	-0.040	-0.008
9	N	-0.379	-0.559	-0.552
10	H	0.253	0.239	0.282
11	C	-0.498	-0.406	-0.515

	x	y	z	Total
	0.152	-1.094	-0.000	1.105
CHELPG
AIM
ESP	0.185	-1.029	-0.000	1.046

	x	y	z
x	11.344	-0.457	-0.000
y	-0.457	9.200	0.000
z	-0.000	0.000	5.017

<r²>	178.091
(<r²>)^1/2	13.345

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

using model chemistry: HF/6-311G*

States and conformations

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