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	hartrees
Energy at 0K	-607.157529
Energy at 298.15K	-607.163641
HF Energy	-606.328904
Nuclear repulsion energy	273.197231

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3323	3119	1.72
2	A	3298	3096	1.08
3	A	3197	3001	13.10
4	A	3181	2986	11.60
5	A	3109	2918	17.18
6	A	1650	1548	21.70
7	A	1551	1456	24.91
8	A	1542	1448	33.58
9	A	1535	1441	6.27
10	A	1474	1384	3.87
11	A	1394	1309	17.29
12	A	1303	1223	1.67
13	A	1207	1133	3.87
14	A	1097	1030	2.94
15	A	1051	987	8.59
16	A	974	914	20.22
17	A	913	856	28.27
18	A	872	819	11.58
19	A	833	782	38.92
20	A	738	693	12.94
21	A	698	655	1.54
22	A	639	600	2.00
23	A	570	535	2.45
24	A	481	452	1.86
25	A	337	317	2.36
26	A	233	218	4.12
27	A	127	120	0.41

Atom	x (Å)	y (Å)	z (Å)
H1	1.553	2.022	-0.000
C2	-0.950	-0.044	-0.000
C3	0.905	1.155	-0.000
H4	-2.869	0.311	0.883
H5	-2.743	-1.226	-0.001
H6	-2.870	0.312	-0.882
C7	-2.443	-0.175	0.000
S8	1.569	-0.447	0.000
N9	-0.392	1.230	-0.000
H10	-0.238	-2.126	-0.000
C11	-0.044	-1.063	-0.000

	H1	C2	C3	H4	H5	H6	C7	S8	N9	H10	C11
H1		3.2460	1.0829	4.8238	5.3860	4.8236	4.5609	2.4689	2.1004	4.5184	3.4740
C2	3.2460		2.2088	2.1420	2.1473	2.1420	1.4988	2.5516	1.3905	2.2005	1.3637
C3	1.0829	2.2088		3.9671	4.3561	3.9669	3.6027	1.7338	1.2989	3.4741	2.4121
H4	4.8238	2.1420	3.9671		1.7773	1.7657	1.0942	4.5885	2.7861	3.6931	3.2631
H5	5.3860	2.1473	4.3561	1.7773		1.7773	1.0930	4.3820	3.3997	2.6613	2.7037
H6	4.8236	2.1420	3.9669	1.7657	1.7773		1.0942	4.5888	2.7858	3.6937	3.2636
C7	4.5609	1.4988	3.6027	1.0942	1.0930	1.0942		4.0218	2.4863	2.9442	2.5582
S8	2.4689	2.5516	1.7338	4.5885	4.3820	4.5888	4.0218		2.5799	2.4671	1.7270
N9	2.1004	1.3905	1.2989	2.7861	3.3997	2.7858	2.4863	2.5799		3.3590	2.3186
H10	4.5184	2.2005	3.4741	3.6931	2.6613	3.6937	2.9442	2.4671	3.3590		1.0807
C11	3.4740	1.3637	2.4121	3.2631	2.7037	3.2636	2.5582	1.7270	2.3186	1.0807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	S8	120.690	H1	C3	N9	123.481
C2	C7	H4	110.425	C2	C7	H5	110.927
C2	C7	H6	110.427	C2	N9	C3	110.383
C2	C11	S8	110.748	C2	C11	H10	128.003
C3	S8	C11	88.371	H4	C7	H5	108.698
H4	C7	H6	107.575	H5	C7	H6	108.699
C7	C2	N9	118.707	C7	C2	C11	126.624
S8	C3	N9	115.829	S8	C11	H10	121.249
N9	C2	C11	114.669

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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