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	hartrees
Energy at 0K	-219.117816
Energy at 298.15K	-219.123616
HF Energy	-218.602541
Nuclear repulsion energy	188.576626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3274	3153	1.56
2	A	3270	3149	0.70
3	A	3137	3021	20.95
4	A	3129	3013	20.66
5	A	3029	2918	29.26
6	A	1549	1492	9.16
7	A	1516	1460	9.59
8	A	1504	1448	11.13
9	A	1466	1412	4.70
10	A	1359	1308	63.93
11	A	1292	1245	13.99
12	A	1231	1185	2.36
13	A	1164	1121	3.96
14	A	1101	1060	3.58
15	A	1035	997	9.10
16	A	884	851	13.10
17	A	833	802	28.45
18	A	773	744	12.51
19	A	742	715	78.98
20	A	669	644	0.67
21	A	622	599	0.13
22	A	618	595	12.37
23	A	530	511	7.49
24	A	458	441	3.45
25	A	320	309	2.85
26	A	218	210	5.96
27	A	118	114	0.44

Atom	x (Å)	y (Å)	z (Å)
H1	-2.281	-1.595	0.000
C2	0.625	0.051	0.000
C3	-1.486	-0.852	0.000
H4	2.471	-0.650	0.894
H5	2.624	0.897	-0.002
H6	2.470	-0.654	-0.892
C7	2.139	-0.094	0.000
S8	-1.887	0.935	0.000
N9	-0.179	-1.135	-0.000
H10	0.277	2.260	0.000
C11	-0.108	1.242	-0.000

	H1	C2	C3	H4	H5	H6	C7	S8	N9	H10	C11
H1		3.3396	1.0881	4.9266	5.5019	4.9250	4.6677	2.5605	2.1519	4.6259	3.5734
C2	3.3396		2.2956	2.1673	2.1711	2.1672	1.5209	2.6632	1.4326	2.2360	1.3986
C3	1.0881	2.2956		4.0610	4.4666	4.0598	3.7028	1.8322	1.3368	3.5764	2.5068
H4	4.9266	2.1673	4.0610		1.7941	1.7853	1.1036	4.7226	2.8380	3.7522	3.3210
H5	5.5019	2.1711	4.4666	1.7941		1.7941	1.1035	4.5117	3.4621	2.7146	2.7542
H6	4.9250	2.1672	4.0598	1.7853	1.7941		1.1036	4.7230	2.8362	3.7542	3.3221
C7	4.6677	1.5209	3.7028	1.1036	1.1035	1.1036		4.1555	2.5406	3.0013	2.6142
S8	2.5605	2.6632	1.8322	4.7226	4.5117	4.7230	4.1555		2.6840	2.5370	1.8053
N9	2.1519	1.4326	1.3368	2.8380	3.4621	2.8362	2.5406	2.6840		3.4250	2.3781
H10	4.6259	2.2360	3.5764	3.7522	2.7146	3.7542	3.0013	2.5370	3.4250		1.0879
C11	3.5734	1.3986	2.5068	3.3210	2.7542	3.3221	2.6142	1.8053	2.3781	1.0879

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	S8	120.352	H1	C3	N9	124.783
C2	C7	H4	110.333	C2	C7	H5	110.634
C2	C7	H6	110.322	C2	N9	C3	111.928
C2	C11	S8	111.821	C2	C11	H10	127.679
C3	S8	C11	87.121	H4	C7	H5	108.757
H4	C7	H6	107.969	H5	C7	H6	108.758
C7	C2	N9	118.654	C7	C2	C11	127.080
S8	C3	N9	114.864	S8	C11	H10	120.499
N9	C2	C11	114.266

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

using model chemistry: MP2/LANL2DZ

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: MP2/LANL2DZ

States and conformations

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