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	hartrees
Energy at 0K	-568.298208
Energy at 298.15K
HF Energy	-567.375574
Nuclear repulsion energy	204.857583

Atom	x (Å)	y (Å)
S1	0.000	1.182
C2	-1.200	-0.059
C3	1.220	-0.023
N4	-0.736	-1.288
C5	0.639	-1.269
H6	-2.255	0.185
H7	2.270	0.231
H8	1.181	-2.205

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7264	1.7149	2.5776	2.5326	2.4651	2.4610	3.5873
C2	1.7264		2.4209	1.3143	2.2014	1.0823	3.4824	3.2061
C3	1.7149	2.4209		2.3298	1.3749	3.4812	1.0800	2.1827
N4	2.5776	1.3143	2.3298		1.3749	2.1163	3.3682	2.1252
C5	2.5326	2.2014	1.3749	1.3749		3.2383	2.2161	1.0823
H6	2.4651	1.0823	3.4812	2.1163	3.2383		4.5249	4.1858
H7	2.4610	3.4824	1.0800	3.3682	2.2161	4.5249		2.6687
H8	3.5873	3.2061	2.1827	2.1252	1.0823	4.1858	2.6687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.259	S1	C2	H6	121.003
S1	C3	C5	109.615	S1	C3	H7	121.751
C2	S1	C3	89.414	C2	N4	C5	109.875
C3	C5	N4	115.836	C3	C5	H8	124.895
N4	C2	H6	123.738	N4	C5	H8	119.268
C5	C3	H7	128.633

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: MP4/6-311+G(3df,2p)

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: MP4/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)