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	hartrees
Energy at 0K	-568.131114
Energy at 298.15K
HF Energy	-567.327798
Nuclear repulsion energy	202.528503

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3267	3173
2	A'	3240	3147
3	A'	3233	3139
4	A'	1510	1466
5	A'	1421	1381
6	A'	1337	1299
7	A'	1247	1211
8	A'	1134	1102
9	A'	1048	1018
10	A'	874	849
11	A'	862	837
12	A'	747	726
13	A'	607	589
14	A"	866	841
15	A"	791	768
16	A"	703	683
17	A"	592	575
18	A"	451	438

Atom	x (Å)	y (Å)
S1	0.000	1.202
C2	-1.210	-0.067
C3	1.233	-0.032
N4	-0.746	-1.301
C5	0.645	-1.283
H6	-2.274	0.177
H7	2.293	0.224
H8	1.191	-2.229

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7531	1.7443	2.6113	2.5666	2.4942	2.4932	3.6310
C2	1.7531		2.4431	1.3175	2.2176	1.0922	3.5151	3.2302
C3	1.7443	2.4431		2.3513	1.3819	3.5136	1.0906	2.1970
N4	2.6113	1.3175	2.3513		1.3919	2.1257	3.4006	2.1481
C5	2.5666	2.2176	1.3819	1.3919		3.2641	2.2327	1.0921
H6	2.4942	1.0922	3.5136	2.1257	3.2641		4.5678	4.2184
H7	2.4932	3.5151	1.0906	3.4006	2.2327	4.5678		2.6886
H8	3.6310	3.2302	2.1970	2.1481	1.0921	4.2184	2.6886

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.783	S1	C2	H6	120.690
S1	C3	C5	109.829	S1	C3	H7	121.434
C2	S1	C3	88.624	C2	N4	C5	109.836
C3	C5	N4	115.928	C3	C5	H8	124.844
N4	C2	H6	123.527	N4	C5	H8	119.228
C5	C3	H7	128.737

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: CCSD(T)=FULL/aug-cc-pVDZ

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)=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)