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	hartrees
Energy at 0K	-568.557023
Energy at 298.15K
HF Energy	-567.376192
Nuclear repulsion energy	205.312580

Atom	x (Å)	y (Å)
S1	0.000	1.179
C2	-1.198	-0.058
C3	1.217	-0.023
N4	-0.734	-1.285
C5	0.637	-1.267
H6	-2.251	0.186
H7	2.265	0.233
H8	1.179	-2.202

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7222	1.7107	2.5713	2.5273	2.4598	2.4545	3.5806
C2	1.7222		2.4153	1.3117	2.1971	1.0808	3.4750	3.2005
C3	1.7107	2.4153		2.3239	1.3723	3.4742	1.0785	2.1794
N4	2.5713	1.3117	2.3239		1.3712	2.1133	3.3613	2.1209
C5	2.5273	2.1971	1.3723	1.3712		3.2327	2.2133	1.0808
H6	2.4598	1.0808	3.4742	2.1133	3.2327		4.5158	4.1790
H7	2.4545	3.4750	1.0785	3.3613	2.2133	4.5158		2.6664
H8	3.5806	3.2005	2.1794	2.1209	1.0808	4.1790	2.6664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.217	S1	C2	H6	120.987
S1	C3	C5	109.637	S1	C3	H7	121.626
C2	S1	C3	89.430	C2	N4	C5	109.934
C3	C5	N4	115.783	C3	C5	H8	124.933
N4	C2	H6	123.796	N4	C5	H8	119.284
C5	C3	H7	128.738

All results from a given calculation for C₃H₃NS (Thiazole)

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

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)