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	hartrees
Energy at 0K	-606.339167
Energy at 298.15K	-606.345611
Nuclear repulsion energy	275.088171

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3434	3100	2.88
2	A	3397	3066	3.46
3	A	3277	2957	23.80
4	A	3257	2940	22.52
5	A	3194	2883	28.79
6	A	1767	1595	48.86
7	A	1662	1500	45.03
8	A	1614	1457	6.92
9	A	1604	1447	4.57
10	A	1552	1401	2.93
11	A	1475	1331	26.05
12	A	1371	1238	1.34
13	A	1267	1143	6.73
14	A	1168	1055	4.20
15	A	1110	1002	6.02
16	A	1026	926	22.69
17	A	964	870	26.80
18	A	936	845	36.73
19	A	906	818	6.47
20	A	853	770	22.10
21	A	727	656	2.02
22	A	712	643	1.96
23	A	595	537	3.43
24	A	518	468	5.20
25	A	355	320	2.52
26	A	251	227	4.39
27	A	152	137	0.38

Atom	x (Å)	y (Å)	z (Å)
H1	1.534	2.013	-0.001
C2	-0.939	-0.049	-0.000
C3	0.897	1.149	0.000
H4	-2.848	0.323	0.876
H5	-2.745	-1.201	-0.001
H6	-2.848	0.326	-0.874
C7	-2.433	-0.164	0.000
S8	1.560	-0.444	0.000
N9	-0.375	1.215	-0.000
H10	-0.256	-2.111	-0.000
C11	-0.055	-1.060	-0.000

	H1	C2	C3	H4	H5	H6	C7	S8	N9	H10	C11
H1		3.2199	1.0734	4.7777	5.3519	4.7765	4.5248	2.4570	2.0690	4.4956	3.4594
C2	3.2199		2.1923	2.1330	2.1424	2.1330	1.4980	2.5305	1.3841	2.1726	1.3435
C3	1.0734	2.1923		3.9337	4.3346	3.9331	3.5791	1.7257	1.2735	3.4579	2.4054
H4	4.7777	2.1330	3.9337		1.7617	1.7507	1.0850	4.5595	2.7712	3.6626	3.2379
H5	5.3519	2.1424	4.3346	1.7617		1.7617	1.0833	4.3718	3.3846	2.6510	2.6944
H6	4.7765	2.1330	3.9331	1.7507	1.7617		1.0849	4.5600	2.7700	3.6639	3.2387
C7	4.5248	1.4980	3.5791	1.0850	1.0833	1.0849		4.0029	2.4770	2.9210	2.5414
S8	2.4570	2.5305	1.7257	4.5595	4.3718	4.5600	4.0029		2.5489	2.4652	1.7285
N9	2.0690	1.3841	1.2735	2.7712	3.3846	2.7700	2.4770	2.5489		3.3282	2.2975
H10	4.4956	2.1726	3.4579	3.6626	2.6510	3.6639	2.9210	2.4652	3.3282		1.0701
C11	3.4594	1.3435	2.4054	3.2379	2.6944	3.2387	2.5414	1.7285	2.2975	1.0701

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	S8	120.978	H1	C3	N9	123.448
C2	C7	H4	110.318	C2	C7	H5	111.175
C2	C7	H6	110.316	C2	N9	C3	111.096
C2	C11	S8	110.293	C2	C11	H10	128.003
C3	S8	C11	88.272	H4	C7	H5	108.682
H4	C7	H6	107.569	H5	C7	H6	108.685
C7	C2	N9	118.460	C7	C2	C11	126.776
S8	C3	N9	115.574	S8	C11	H10	121.705
N9	C2	C11	114.764

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

using model chemistry: HF/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	CHELPG
1	H	0.182	0.117
2	C	0.243	0.507
3	C	-0.059	0.226
4	H	0.142	0.143
5	H	0.120	0.090
6	H	0.142	0.143
7	C	-0.337	-0.456
8	S	0.261	-0.051
9	N	-0.471	-0.568
10	H	0.183	0.234
11	C	-0.407	-0.385

	x	y	z
x	10.902	-0.352	-0.000
y	-0.352	8.970	0.000
z	-0.000	0.000	4.883

<r²>	177.970
(<r²>)^1/2	13.341

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

using model chemistry: HF/6-31G**

States and conformations

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