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	hartrees
Energy at 0K	-606.230606
Energy at 298.15K	-606.236592
Nuclear repulsion energy	274.920626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3184	3145	2.69
2	A	3148	3109	0.23
3	A	3077	3039	5.69
4	A	3044	3007	4.27
5	A	2977	2941	11.88
6	A	1549	1530	49.64
7	A	1480	1462	34.87
8	A	1415	1398	12.68
9	A	1397	1380	12.07
10	A	1363	1347	23.53
11	A	1330	1314	3.35
12	A	1208	1193	1.53
13	A	1119	1106	1.46
14	A	1011	999	6.26
15	A	972	960	16.39
16	A	946	934	6.44
17	A	889	879	30.99
18	A	820	810	17.51
19	A	767	758	53.91
20	A	698	689	7.49
21	A	672	664	0.86
22	A	646	638	0.00
23	A	557	550	1.29
24	A	490	484	2.09
25	A	327	323	3.05
26	A	229	226	5.25
27	A	119	117	0.68

Atom	x (Å)	y (Å)	z (Å)
H1	1.563	2.023	-0.000
C2	-0.947	-0.031	-0.000
C3	0.902	1.155	-0.000
H4	-2.854	0.315	0.885
H5	-2.722	-1.231	-0.001
H6	-2.854	0.317	-0.884
C7	-2.418	-0.175	0.000
S8	1.555	-0.447	0.000
N9	-0.391	1.213	-0.000
H10	-0.234	-2.127	-0.000
C11	-0.043	-1.056	-0.000

	H1	C2	C3	H4	H5	H6	C7	S8	N9	H10	C11
H1		3.2439	1.0914	4.8172	5.3806	4.8168	4.5477	2.4702	2.1152	4.5231	3.4729
C2	3.2439		2.1968	2.1301	2.1421	2.1301	1.4779	2.5367	1.3633	2.2141	1.3672
C3	1.0914	2.1968		3.9484	4.3386	3.9481	3.5764	1.7301	1.2940	3.4735	2.4045
H4	4.8172	2.1301	3.9484		1.7867	1.7697	1.1015	4.5607	2.7665	3.6894	3.2507
H5	5.3806	2.1421	4.3386	1.7867		1.7868	1.0987	4.3484	3.3774	2.6446	2.6853
H6	4.8168	2.1301	3.9481	1.7697	1.7868		1.1015	4.5609	2.7660	3.6901	3.2510
C7	4.5477	1.4779	3.5764	1.1015	1.0987	1.1015		3.9827	2.4569	2.9297	2.5340
S8	2.4702	2.5367	1.7301	4.5607	4.3484	4.5609	3.9827		2.5581	2.4547	1.7098
N9	2.1152	1.3633	1.2940	2.7665	3.3774	2.7660	2.4569	2.5581		3.3444	2.2962
H10	4.5231	2.2141	3.4735	3.6894	2.6446	3.6901	2.9297	2.4547	3.3444		1.0882
C11	3.4729	1.3672	2.4045	3.2507	2.6853	3.2510	2.5340	1.7098	2.2962	1.0882

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	S8	120.510	H1	C3	N9	124.722
C2	C7	H4	110.491	C2	C7	H5	111.626
C2	C7	H6	110.489	C2	N9	C3	111.504
C2	C11	S8	110.560	C2	C11	H10	128.416
C3	S8	C11	88.687	H4	C7	H5	108.597
H4	C7	H6	106.893	H5	C7	H6	108.599
C7	C2	N9	119.653	C7	C2	C11	125.866
S8	C3	N9	114.768	S8	C11	H10	121.024
N9	C2	C11	114.480

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

using model chemistry: LSDA/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
1	H	0.173
2	C	0.040
3	C	-0.170
4	H	0.171
5	H	0.147
6	H	0.171
7	C	-0.359
8	S	0.287
9	N	-0.253
10	H	0.171
11	C	-0.379

	x	y	z	Total
	0.141	-1.190	0.000	1.199
CHELPG
AIM
ESP

	x	y	z
x	12.814	-0.338	-0.000
y	-0.338	10.173	0.000
z	-0.000	0.000	5.357

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-311G**

States and conformations

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