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	hartrees
Energy at 0K	-606.167024
Energy at 298.15K	-606.173004
Nuclear repulsion energy	275.239279

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3200	3148	2.87
2	A	3166	3115	0.18
3	A	3092	3042	4.40
4	A	3058	3009	3.15
5	A	2986	2938	10.90
6	A	1550	1525	49.34
7	A	1484	1460	26.84
8	A	1414	1392	9.44
9	A	1397	1374	7.94
10	A	1366	1344	17.77
11	A	1329	1307	1.67
12	A	1208	1188	2.12
13	A	1114	1096	1.87
14	A	1010	994	6.51
15	A	970	955	17.25
16	A	942	927	5.65
17	A	894	880	25.45
18	A	831	818	18.50
19	A	781	769	35.25
20	A	710	699	4.95
21	A	675	664	0.71
22	A	648	638	0.02
23	A	557	548	0.91
24	A	496	488	1.69
25	A	322	317	2.45
26	A	230	227	3.42
27	A	115	113	0.52

Atom	x (Å)	y (Å)	z (Å)
H1	1.571	2.018	-0.000
C2	-0.945	-0.030	-0.000
C3	0.907	1.151	-0.000
H4	-2.856	0.318	0.885
H5	-2.721	-1.229	-0.001
H6	-2.856	0.320	-0.884
C7	-2.417	-0.172	0.000
S8	1.549	-0.447	0.000
N9	-0.388	1.214	-0.000
H10	-0.235	-2.128	-0.000
C11	-0.041	-1.057	-0.000

	H1	C2	C3	H4	H5	H6	C7	S8	N9	H10	C11
H1		3.2438	1.0916	4.8241	5.3815	4.8236	4.5495	2.4647	2.1175	4.5226	3.4719
C2	3.2438		2.1967	2.1347	2.1429	2.1346	1.4788	2.5288	1.3626	2.2156	1.3692
C3	1.0916	2.1967		3.9550	4.3392	3.9546	3.5779	1.7219	1.2969	3.4729	2.4034
H4	4.8241	2.1347	3.9550		1.7879	1.7694	1.1029	4.5579	2.7709	3.6930	3.2563
H5	5.3815	2.1429	4.3392	1.7879		1.7879	1.1000	4.3409	3.3779	2.6432	2.6857
H6	4.8236	2.1346	3.9546	1.7694	1.7879		1.1029	4.5581	2.7704	3.6937	3.2567
C7	4.5495	1.4788	3.5779	1.1029	1.1000	1.1029		3.9755	2.4570	2.9306	2.5361
S8	2.4647	2.5288	1.7219	4.5579	4.3409	4.5581	3.9755		2.5515	2.4519	1.7029
N9	2.1175	1.3626	1.2969	2.7709	3.3779	2.7704	2.4570	2.5515		3.3459	2.2979
H10	4.5226	2.2156	3.4729	3.6930	2.6432	3.6937	2.9306	2.4519	3.3459		1.0886
C11	3.4719	1.3692	2.4034	3.2563	2.6857	3.2567	2.5361	1.7029	2.2979	1.0886

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	S8	120.682	H1	C3	N9	124.658
C2	C7	H4	110.715	C2	C7	H5	111.552
C2	C7	H6	110.714	C2	N9	C3	111.350
C2	C11	S8	110.332	C2	C11	H10	128.349
C3	S8	C11	89.135	H4	C7	H5	108.508
H4	C7	H6	106.679	H5	C7	H6	108.511
C7	C2	N9	119.648	C7	C2	C11	125.828
S8	C3	N9	114.659	S8	C11	H10	121.319
N9	C2	C11	114.524

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

using model chemistry: LSDA/6-31G(2df,p)

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	0.169
2	C	0.295
3	C	-0.119
4	H	0.177
5	H	0.155
6	H	0.177
7	C	-0.592
8	S	-0.043
9	N	-0.150
10	H	0.159
11	C	-0.228

	x	y	z	Total
	-0.035	-1.128	0.000	1.129
CHELPG
AIM
ESP

	x	y	z
x	12.498	-0.177	-0.000
y	-0.177	9.868	0.000
z	-0.000	0.000	5.572

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

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