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	hartrees
Energy at 0K	-561.128282
Energy at 298.15K
HF Energy	-560.840210
Nuclear repulsion energy	199.895683

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'	3559	3103	5.21	61.87	0.16	0.28
2	A'	3534	3081	5.74	44.71	0.65	0.79
3	A'	3515	3065	3.21	48.47	0.38	0.55
4	A'	1590	1387	0.69	8.53	0.42	0.59
5	A'	1523	1328	9.81	2.49	0.29	0.45
6	A'	1409	1228	23.60	6.83	0.35	0.52
7	A'	1324	1155	7.84	5.77	0.44	0.61
8	A'	1193	1040	2.07	10.14	0.70	0.82
9	A'	1074	937	1.27	2.23	0.21	0.34
10	A'	969	845	21.31	3.15	0.31	0.47
11	A'	960	837	6.70	5.60	0.17	0.29
12	A'	823	717	1.76	4.11	0.74	0.85
13	A'	679	592	0.40	5.25	0.52	0.68
14	A"	967	843	0.09	0.63	0.75	0.86
15	A"	854	744	5.24	2.17	0.75	0.86
16	A"	800	697	10.94	2.37	0.75	0.86
17	A"	610	532	2.99	0.68	0.75	0.86
18	A"	475	415	0.01	0.22	0.75	0.86

Atom	x (Å)	y (Å)
S1	-1.216	0.060
C2	0.000	-1.211
C3	0.087	1.229
N4	1.307	-0.843
C5	1.318	0.610
H6	-0.301	-2.270
H7	-0.108	2.308
H8	2.288	1.126

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7592	1.7502	2.6795	2.5924	2.5042	2.5062	3.6626
C2	1.7592		2.4419	1.3576	2.2475	1.1013	3.5209	3.2705
C3	1.7502	2.4419		2.4047	1.3781	3.5212	1.0963	2.2041
N4	2.6795	1.3576	2.4047		1.4527	2.1497	3.4540	2.1997
C5	2.5924	2.2475	1.3781	1.4527		3.3037	2.2172	1.0993
H6	2.5042	1.1013	3.5212	2.1497	3.3037		4.5828	4.2703
H7	2.5062	3.5209	1.0963	3.4540	2.2172	4.5828		2.6720
H8	3.6626	3.2705	2.2041	2.1997	1.0993	4.2703	2.6720

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	117.989	S1	C2	H6	120.443
S1	C3	C5	111.378	S1	C3	H7	121.694
C2	S1	C3	88.183	C2	N4	C5	106.162
C3	C5	N4	116.289	C3	C5	H8	125.297
N4	C2	H6	121.568	N4	C5	H8	118.414
C5	C3	H7	126.928

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: MP2/STO-3G

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/STO-3G

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)