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	hartrees
Energy at 0K	-568.117102
Energy at 298.15K
HF Energy	-567.326649
Nuclear repulsion energy	202.227104

Atom	x (Å)	y (Å)
S1	0.000	1.203
C2	-1.213	-0.068
C3	1.234	-0.028
N4	-0.744	-1.306
C5	0.646	-1.285
H6	-2.278	0.182
H7	2.294	0.231
H8	1.196	-2.229

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7570	1.7429	2.6165	2.5700	2.4965	2.4913	3.6346
C2	1.7570		2.4473	1.3236	2.2218	1.0937	3.5202	3.2368
C3	1.7429	2.4473		2.3543	1.3872	3.5181	1.0918	2.2013
N4	2.6165	1.3236	2.3543		1.3898	2.1367	3.4048	2.1488
C5	2.5700	2.2218	1.3872	1.3898		3.2709	2.2397	1.0932
H6	2.4965	1.0937	3.5181	2.1367	3.2709		4.5725	4.2289
H7	2.4913	3.5202	1.0918	3.4048	2.2397	4.5725		2.6945
H8	3.6346	3.2368	2.2013	2.1488	1.0932	4.2289	2.6945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.559	S1	C2	H6	120.477
S1	C3	C5	109.862	S1	C3	H7	121.294
C2	S1	C3	88.732	C2	N4	C5	109.907
C3	C5	N4	115.940	C3	C5	H8	124.684
N4	C2	H6	123.964	N4	C5	H8	119.376
C5	C3	H7	128.844

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: MP4/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: MP4/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)