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	hartrees
Energy at 0K	-568.054225
Energy at 298.15K
HF Energy	-567.297376
Nuclear repulsion energy	203.769742

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3315	3181
2	A'	3287	3154
3	A'	3281	3149
4	A'	1537	1475
5	A'	1449	1390
6	A'	1372	1316
7	A'	1291	1239
8	A'	1162	1115
9	A'	1075	1031
10	A'	897	860
11	A'	883	847
12	A'	763	732
13	A'	622	597
14	A"	846	812
15	A"	791	759
16	A"	699	670
17	A"	576	552
18	A"	445	427

Atom	x (Å)	y (Å)
S1	0.000	1.194
C2	-1.202	-0.065
C3	1.224	-0.030
N4	-0.743	-1.295
C5	0.645	-1.275
H6	-2.255	0.178
H7	2.274	0.217
H8	1.185	-2.211

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7411	1.7306	2.5980	2.5519	2.4735	2.4750	3.6056
C2	1.7411		2.4261	1.3128	2.2078	1.0809	3.4877	3.2097
C3	1.7306	2.4261		2.3389	1.3732	3.4851	1.0791	2.1821
N4	2.5980	1.3128	2.3389		1.3882	2.1114	3.3752	2.1344
C5	2.5519	2.2078	1.3732	1.3882		3.2438	2.2094	1.0809
H6	2.4735	1.0809	3.4851	2.1114	3.2438		4.5295	4.1885
H7	2.4750	3.4877	1.0791	3.3752	2.2094	4.5295		2.6619
H8	3.6056	3.2097	2.1821	2.1344	1.0809	4.1885	2.6619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.870	S1	C2	H6	120.639
S1	C3	C5	110.073	S1	C3	H7	121.764
C2	S1	C3	88.664	C2	N4	C5	109.624
C3	C5	N4	115.770	C3	C5	H8	125.108
N4	C2	H6	123.492	N4	C5	H8	119.121
C5	C3	H7	128.164

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: CCSD(T)/6-31+G**

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: CCSD(T)/6-31+G**

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)