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	hartrees
Energy at 0K	-607.190791
Energy at 298.15K	-607.196920
HF Energy	-606.329125
Nuclear repulsion energy	273.505419

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3324	3119	1.71
2	A	3300	3096	1.07
3	A	3199	3001	12.97
4	A	3183	2986	11.44
5	A	3110	2918	17.00
6	A	1653	1551	21.81
7	A	1552	1456	27.54
8	A	1545	1449	30.98
9	A	1536	1441	6.33
10	A	1476	1385	4.14
11	A	1396	1310	17.35
12	A	1303	1223	1.66
13	A	1209	1134	3.78
14	A	1099	1031	3.16
15	A	1052	988	8.66
16	A	975	915	20.04
17	A	915	858	28.46
18	A	875	821	11.40
19	A	840	788	39.32
20	A	747	701	12.58
21	A	699	656	1.48
22	A	644	605	1.66
23	A	572	537	2.36
24	A	485	455	2.00
25	A	338	317	2.39
26	A	234	220	4.12
27	A	127	119	0.41

Atom	x (Å)	y (Å)	z (Å)
H1	1.548	2.023	0.000
C2	-0.952	-0.047	-0.000
C3	0.899	1.155	0.000
H4	-2.868	0.310	0.884
H5	-2.746	-1.227	-0.001
H6	-2.868	0.313	-0.882
C7	-2.444	-0.176	0.000
S8	1.573	-0.444	-0.000
N9	-0.394	1.227	0.000
H10	-0.234	-2.125	0.000
C11	-0.043	-1.061	0.000

	H1	C2	C3	H4	H5	H6	C7	S8	N9	H10	C11
H1		3.2454	1.0841	4.8183	5.3850	4.8176	4.5582	2.4678	2.0989	4.5152	3.4707
C2	3.2454		2.2066	2.1403	2.1473	2.1402	1.4983	2.5556	1.3904	2.1991	1.3623
C3	1.0841	2.2066		3.9606	4.3540	3.9601	3.5988	1.7352	1.2953	3.4703	2.4080
H4	4.8183	2.1403	3.9606		1.7779	1.7661	1.0941	4.5903	2.7825	3.6946	3.2625
H5	5.3850	2.1473	4.3540	1.7779		1.7779	1.0930	4.3887	3.3987	2.6673	2.7078
H6	4.8176	2.1402	3.9601	1.7661	1.7779		1.0941	4.5907	2.7816	3.6960	3.2633
C7	4.5582	1.4983	3.5988	1.0941	1.0930	1.0941		4.0261	2.4846	2.9469	2.5595
S8	2.4678	2.5556	1.7352	4.5903	4.3887	4.5907	4.0261		2.5810	2.4679	1.7294
N9	2.0989	1.3904	1.2953	2.7825	3.3987	2.7816	2.4846	2.5810		3.3561	2.3152
H10	4.5152	2.1991	3.4703	3.6946	2.6673	3.6960	2.9469	2.4679	3.3561		1.0810
C11	3.4707	1.3623	2.4080	3.2625	2.7078	3.2633	2.5595	1.7294	2.3152	1.0810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	S8	120.406	H1	C3	N9	123.555
C2	C7	H4	110.324	C2	C7	H5	110.959
C2	C7	H6	110.320	C2	N9	C3	110.449
C2	C11	S8	110.946	C2	C11	H10	127.956
C3	S8	C11	88.063	H4	C7	H5	108.761
H4	C7	H6	107.628	H5	C7	H6	108.764
C7	C2	N9	118.612	C7	C2	C11	126.885
S8	C3	N9	116.039	S8	C11	H10	121.098
N9	C2	C11	114.503

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

using model chemistry: MP3=FULL/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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All results from a given calculation for C4H5NS (4-Methylthiazole)

using model chemistry: MP3=FULL/6-31G*

States and conformations

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