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	hartrees
Energy at 0K	-568.132900
Energy at 298.15K
HF Energy	-567.344752
Nuclear repulsion energy	203.833321

Atom	x (Å)	y (Å)
S1	0.000	1.193
C2	-1.200	-0.066
C3	1.222	-0.025
N4	-0.741	-1.298
C5	0.642	-1.275
H6	-2.257	0.183
H7	2.274	0.232
H8	1.187	-2.214

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7398	1.7259	2.5993	2.5501	2.4730	2.4690	3.6078
C2	1.7398		2.4230	1.3151	2.2031	1.0861	3.4875	3.2112
C3	1.7259	2.4230		2.3396	1.3779	3.4859	1.0832	2.1887
N4	2.5993	1.3151	2.3396		1.3825	2.1203	3.3813	2.1341
C5	2.5501	2.2031	1.3779	1.3825		3.2451	2.2221	1.0858
H6	2.4730	1.0861	3.4859	2.1203	3.2451		4.5321	4.1965
H7	2.4690	3.4875	1.0832	3.3813	2.2221	4.5321		2.6767
H8	3.6078	3.2112	2.1887	2.1341	1.0858	4.1965	2.6767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.914	S1	C2	H6	120.341
S1	C3	C5	109.988	S1	C3	H7	121.331
C2	S1	C3	88.714	C2	N4	C5	109.490
C3	C5	N4	115.895	C3	C5	H8	124.915
N4	C2	H6	123.745	N4	C5	H8	119.190
C5	C3	H7	128.681

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: MP4/6-311G**

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: MP4/6-311G**

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)