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	hartrees
Energy at 0K	-564.987586
Energy at 298.15K
HF Energy	-564.480933
Nuclear repulsion energy	202.417683

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3304	3143	2.90	134.33	0.16	0.27
2	A'	3285	3125	1.29	59.99	0.30	0.46
3	A'	3277	3118	1.02	80.37	0.70	0.82
4	A'	1444	1373	1.76	9.85	0.36	0.52
5	A'	1389	1321	0.83	1.91	0.10	0.19
6	A'	1302	1239	11.57	4.11	0.73	0.84
7	A'	1284	1222	34.75	15.88	0.26	0.42
8	A'	1166	1109	6.05	6.95	0.59	0.74
9	A'	1022	972	0.71	3.39	0.25	0.40
10	A'	894	850	6.34	2.38	0.17	0.28
11	A'	871	828	60.86	7.46	0.28	0.44
12	A'	744	708	1.60	5.93	0.75	0.86
13	A'	628	598	5.52	11.31	0.39	0.56
14	A"	903	859	0.06	1.31	0.75	0.86
15	A"	827	786	62.78	0.92	0.75	0.86
16	A"	757	721	30.53	4.51	0.75	0.86
17	A"	628	598	14.98	0.80	0.75	0.86
18	A"	484	461	0.01	0.44	0.75	0.86

Atom	x (Å)	y (Å)
S1	0.000	1.196
C2	-1.218	-0.059
C3	1.227	-0.026
N4	-0.751	-1.306
C5	0.664	-1.283
H6	-2.267	0.194
H7	2.276	0.230
H8	1.208	-2.216

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7490	1.7315	2.6129	2.5667	2.4790	2.4727	3.6197
C2	1.7490		2.4449	1.3321	2.2452	1.0795	3.5058	3.2463
C3	1.7315	2.4449		2.3560	1.3775	3.5011	1.0798	2.1903
N4	2.6129	1.3321	2.3560		1.4151	2.1336	3.3942	2.1598
C5	2.5667	2.2452	1.3775	1.4151		3.2827	2.2105	1.0799
H6	2.4790	1.0795	3.5011	2.1336	3.2827		4.5435	4.2295
H7	2.4727	3.5058	1.0798	3.3942	2.2105	4.5435		2.6684
H8	3.6197	3.2463	2.1903	2.1598	1.0799	4.2295	2.6684

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.330	S1	C2	H6	120.575
S1	C3	C5	110.781	S1	C3	H7	121.433
C2	S1	C3	89.250	C2	N4	C5	109.586
C3	C5	N4	115.053	C3	C5	H8	125.639
N4	C2	H6	124.094	N4	C5	H8	119.308
C5	C3	H7	127.785

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: MP2/3-21G*

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 C3H3NS (Thiazole)

using model chemistry: MP2/3-21G*

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)