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	hartrees
Energy at 0K	-568.792590
Energy at 298.15K	-568.787690
HF Energy	-567.288888
Nuclear repulsion energy	206.306344

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'	3463	3263	3.59	112.21	0.20	0.33
2	A'	3428	3230	1.86	110.84	0.21	0.35
3	A'	3425	3227	8.56	81.66	0.75	0.86
4	A'	1736	1636	39.69	1.67	0.33	0.49
5	A'	1618	1524	36.02	39.78	0.19	0.32
6	A'	1494	1407	7.94	5.85	0.53	0.69
7	A'	1398	1317	13.24	2.73	0.34	0.50
8	A'	1249	1177	5.71	10.00	0.70	0.82
9	A'	1157	1090	13.50	9.75	0.37	0.54
10	A'	971	915	16.02	0.16	0.17	0.29
11	A'	927	874	44.07	11.11	0.22	0.35
12	A'	815	768	1.87	5.79	0.75	0.86
13	A'	670	632	1.55	8.32	0.37	0.54
14	A"	1049	988	0.41	1.86	0.75	0.86
15	A"	947	892	26.75	0.31	0.75	0.86
16	A"	835	787	36.16	2.76	0.75	0.86
17	A"	661	623	25.92	1.06	0.75	0.86
18	A"	503	474	0.30	1.37	0.75	0.86

Atom	x (Å)	y (Å)
S1	0.000	1.182
C2	-1.197	-0.059
C3	1.216	-0.022
N4	-0.734	-1.290
C5	0.638	-1.268
H6	-2.253	0.186
H7	2.267	0.231
H8	1.184	-2.204

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7246	1.7113	2.5785	2.5318	2.4630	2.4581	3.5872
C2	1.7246		2.4133	1.3153	2.1976	1.0834	3.4763	3.2052
C3	1.7113	2.4133		2.3250	1.3731	3.4745	1.0812	2.1818
N4	2.5785	1.3153	2.3250		1.3715	2.1181	3.3637	2.1246
C5	2.5318	2.1976	1.3731	1.3715		3.2356	2.2137	1.0839
H6	2.4630	1.0834	3.4745	2.1181	3.2356		4.5196	4.1864
H7	2.4581	3.4763	1.0812	3.3637	2.2137	4.5196		2.6648
H8	3.5872	3.2052	2.1818	2.1246	1.0839	4.1864	2.6648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.596	S1	C2	H6	120.945
S1	C3	C5	109.579	S1	C3	H7	122.056
C2	S1	C3	88.457	C2	N4	C5	110.450
C3	C5	N4	115.919	C3	C5	H8	125.265
N4	C2	H6	123.459	N4	C5	H8	118.816
C5	C3	H7	128.365

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: G3

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: G3

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)