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	hartrees
Energy at 0K	-568.085266
Energy at 298.15K
HF Energy	-567.317477
Nuclear repulsion energy	202.803111

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3276	3156
2	A'	3243	3123
3	A'	3240	3121
4	A'	1530	1474
5	A'	1445	1392
6	A'	1349	1300
7	A'	1255	1209
8	A'	1143	1101
9	A'	1055	1016
10	A'	880	847
11	A'	870	838
12	A'	756	728
13	A'	612	589
14	A"	883	850
15	A"	805	776
16	A"	724	698
17	A"	601	579
18	A"	457	440

Atom	x (Å)	y (Å)
S1	0.000	1.202
C2	-1.204	-0.071
C3	1.230	-0.030
N4	-0.746	-1.303
C5	0.643	-1.279
H6	-2.271	0.174
H7	2.293	0.219
H8	1.192	-2.224

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7520	1.7400	2.6133	2.5621	2.4923	2.4942	3.6274
C2	1.7520		2.4342	1.3144	2.2071	1.0944	3.5089	3.2218
C3	1.7400	2.4342		2.3507	1.3798	3.5064	1.0918	2.1951
N4	2.6133	1.3144	2.3507		1.3896	2.1229	3.3989	2.1463
C5	2.5621	2.2071	1.3798	1.3896		3.2561	2.2281	1.0936
H6	2.4923	1.0944	3.5064	2.1229	3.2561		4.5636	4.2126
H7	2.4942	3.5089	1.0918	3.3989	2.2281	4.5636		2.6801
H8	3.6274	3.2218	2.1951	2.1463	1.0936	4.2126	2.6801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	116.185	S1	C2	H6	120.466
S1	C3	C5	109.881	S1	C3	H7	121.787
C2	S1	C3	88.388	C2	N4	C5	109.388
C3	C5	N4	116.158	C3	C5	H8	124.713
N4	C2	H6	123.350	N4	C5	H8	119.129
C5	C3	H7	128.332

All results from a given calculation for C₃H₃NS (Thiazole)

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

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)