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	hartrees
Energy at 0K	-608.484136
Energy at 298.15K	-608.490256
HF Energy	-608.484136
Nuclear repulsion energy	273.777892

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3249	3144	1.32
2	A	3215	3110	0.33
3	A	3114	3013	13.16
4	A	3084	2984	11.10
5	A	3035	2936	21.75
6	A	1563	1512	35.54
7	A	1485	1437	28.92
8	A	1479	1431	6.68
9	A	1465	1417	23.00
10	A	1416	1370	3.06
11	A	1339	1296	12.81
12	A	1252	1211	1.13
13	A	1159	1121	4.44
14	A	1066	1032	1.98
15	A	1018	985	7.23
16	A	946	916	14.67
17	A	878	850	30.53
18	A	827	800	38.08
19	A	824	797	9.53
20	A	745	721	10.46
21	A	670	648	1.64
22	A	659	638	0.08
23	A	556	538	1.24
24	A	494	478	2.81
25	A	337	326	2.72
26	A	234	226	4.32
27	A	134	130	0.49

Atom	x (Å)	y (Å)	z (Å)
H1	1.557	2.022	-0.000
C2	-0.949	-0.039	-0.000
C3	0.908	1.160	-0.001
H4	-2.865	0.316	0.879
H5	-2.743	-1.215	-0.001
H6	-2.865	0.317	-0.878
C7	-2.438	-0.170	0.000
S8	1.565	-0.449	0.000
N9	-0.385	1.220	0.000
H10	-0.245	-2.121	-0.001
C11	-0.051	-1.062	-0.001

	H1	C2	C3	H4	H5	H6	C7	S8	N9	H10	C11
H1		3.2450	1.0792	4.8203	5.3826	4.8197	4.5572	2.4715	2.1007	4.5180	3.4785
C2	3.2450		2.2105	2.1371	2.1451	2.1370	1.4947	2.5477	1.3803	2.1975	1.3618
C3	1.0792	2.2105		3.9642	4.3556	3.9637	3.6006	1.7387	1.2937	3.4776	2.4205
H4	4.8203	2.1371	3.9642		1.7699	1.7570	1.0911	4.5804	2.7822	3.6840	3.2543
H5	5.3826	2.1451	4.3556	1.7699		1.7700	1.0886	4.3759	3.3904	2.6570	2.6967
H6	4.8197	2.1370	3.9637	1.7570	1.7700		1.0911	4.5808	2.7816	3.6844	3.2545
C7	4.5572	1.4947	3.6006	1.0911	1.0886	1.0911		4.0131	2.4800	2.9349	2.5487
S8	2.4715	2.5477	1.7387	4.5804	4.3759	4.5808	4.0131		2.5672	2.4640	1.7284
N9	2.1007	1.3803	1.2937	2.7822	3.3904	2.7816	2.4800	2.5672		3.3442	2.3072
H10	4.5180	2.1975	3.4776	3.6840	2.6570	3.6844	2.9349	2.4640	3.3442		1.0761
C11	3.4785	1.3618	2.4205	3.2543	2.6967	3.2545	2.5487	1.7284	2.3072	1.0761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	S8	120.780	H1	C3	N9	124.328
C2	C7	H4	110.502	C2	C7	H5	111.301
C2	C7	H6	110.500	C2	N9	C3	111.473
C2	C11	S8	110.506	C2	C11	H10	128.307
C3	S8	C11	88.552	H4	C7	H5	108.583
H4	C7	H6	107.250	H5	C7	H6	108.585
C7	C2	N9	119.174	C7	C2	C11	126.250
S8	C3	N9	114.892	S8	C11	H10	121.187
N9	C2	C11	114.576

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

using model chemistry: B3LYP/aug-cc-pVTZ

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: B3LYP/aug-cc-pVTZ

States and conformations

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