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	hartrees
Energy at 0K	-568.297966
Energy at 298.15K
HF Energy	-567.383169
Nuclear repulsion energy	204.784279

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3270	3270
2	A'	3237	3237
3	A'	3232	3232
4	A'	1515	1515
5	A'	1418	1418
6	A'	1352	1352
7	A'	1269	1269
8	A'	1148	1148
9	A'	1061	1061
10	A'	888	888
11	A'	874	874
12	A'	762	762
13	A'	613	613
14	A"	896	896
15	A"	811	811
16	A"	731	731
17	A"	608	608
18	A"	469	469

Atom	x (Å)	y (Å)
S1	0.000	1.185
C2	-1.199	-0.064
C3	1.221	-0.027
N4	-0.739	-1.287
C5	0.641	-1.267
H6	-2.251	0.179
H7	2.269	0.223
H8	1.180	-2.203

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7311	1.7207	2.5804	2.5346	2.4656	2.4648	3.5878
C2	1.7311		2.4200	1.3069	2.1981	1.0801	3.4797	3.1991
C3	1.7207	2.4200		2.3299	1.3689	3.4782	1.0776	2.1762
N4	2.5804	1.3069	2.3299		1.3799	2.1064	3.3658	2.1262
C5	2.5346	2.1981	1.3689	1.3799		3.2334	2.2071	1.0801
H6	2.4656	1.0801	3.4782	2.1064	3.2334		4.5204	4.1769
H7	2.4648	3.4797	1.0776	3.3658	2.2071	4.5204		2.6591
H8	3.5878	3.1991	2.1762	2.1262	1.0801	4.1769	2.6591

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.578	S1	C2	H6	120.817
S1	C3	C5	109.721	S1	C3	H7	121.786
C2	S1	C3	89.026	C2	N4	C5	109.764
C3	C5	N4	115.912	C3	C5	H8	124.982
N4	C2	H6	123.605	N4	C5	H8	119.106
C5	C3	H7	128.493

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: QCISD(T)/Def2TZVPP

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: QCISD(T)/Def2TZVPP

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)