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	hartrees
Energy at 0K	-568.262406
Energy at 298.15K
HF Energy	-567.385338
Nuclear repulsion energy	205.197081

Atom	x (Å)	y (Å)
S1	0.000	1.184
C2	-1.197	-0.066
C3	1.220	-0.034
N4	-0.739	-1.279
C5	0.640	-1.264
H6	-2.248	0.175
H7	2.267	0.213
H8	1.175	-2.200

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7305	1.7238	2.5720	2.5304	2.4643	2.4659	3.5826
C2	1.7305		2.4167	1.2972	2.1933	1.0788	3.4748	3.1910
C3	1.7238	2.4167		2.3210	1.3594	3.4743	1.0759	2.1667
N4	2.5720	1.2972	2.3210		1.3795	2.0964	3.3560	2.1241
C5	2.5304	2.1933	1.3594	1.3795		3.2274	2.1970	1.0784
H6	2.4643	1.0788	3.4743	2.0964	3.2274		4.5152	4.1671
H7	2.4659	3.4748	1.0759	3.3560	2.1970	4.5152		2.6489
H8	3.5826	3.1910	2.1667	2.1241	1.0784	4.1671	2.6489

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.574	S1	C2	H6	120.838
S1	C3	C5	109.746	S1	C3	H7	121.742
C2	S1	C3	88.791	C2	N4	C5	110.022
C3	C5	N4	115.868	C3	C5	H8	125.050
N4	C2	H6	123.588	N4	C5	H8	119.082
C5	C3	H7	128.512

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: CCSD/aug-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: CCSD/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)