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	hartrees
Energy at 0K	-568.297268
Energy at 298.15K
HF Energy	-567.381554
Nuclear repulsion energy	204.417935

Atom	x (Å)	y (Å)
S1	0.000	1.190
C2	-1.200	-0.067
C3	1.223	-0.030
N4	-0.740	-1.290
C5	0.641	-1.268
H6	-2.252	0.177
H7	2.271	0.218
H8	1.181	-2.204

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7378	1.7272	2.5875	2.5399	2.4696	2.4706	3.5929
C2	1.7378		2.4232	1.3061	2.1981	1.0802	3.4832	3.1989
C3	1.7272	2.4232		2.3325	1.3679	3.4814	1.0776	2.1740
N4	2.5875	1.3061	2.3325		1.3815	2.1064	3.3681	2.1274
C5	2.5399	2.1981	1.3679	1.3815		3.2341	2.2060	1.0802
H6	2.4696	1.0802	3.4814	2.1064	3.2341		4.5241	4.1777
H7	2.4706	3.4832	1.0776	3.3681	2.2060	4.5241		2.6560
H8	3.5929	3.1989	2.1740	2.1274	1.0802	4.1777	2.6560

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.713	S1	C2	H6	120.624
S1	C3	C5	109.753	S1	C3	H7	121.763
C2	S1	C3	88.749	C2	N4	C5	109.715
C3	C5	N4	116.070	C3	C5	H8	124.850
N4	C2	H6	123.663	N4	C5	H8	119.081
C5	C3	H7	128.484

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: QCISD(T)/cc-pVTZ

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)/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)