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	hartrees
Energy at 0K	-568.241175
Energy at 298.15K
HF Energy	-567.377709
Nuclear repulsion energy	205.696767

Atom	x (Å)	y (Å)
S1	0.000	1.179
C2	-1.194	-0.062
C3	1.216	-0.030
N4	-0.738	-1.277
C5	0.639	-1.262
H6	-2.246	0.180
H7	2.264	0.218
H8	1.175	-2.199

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7215	1.7149	2.5641	2.5231	2.4580	2.4599	3.5761
C2	1.7215		2.4103	1.2979	2.1909	1.0797	3.4694	3.1904
C3	1.7149	2.4103		2.3182	1.3605	3.4687	1.0769	2.1691
N4	2.5641	1.2979	2.3182		1.3771	2.0970	3.3538	2.1236
C5	2.5231	2.1909	1.3605	1.3771		3.2255	2.1980	1.0793
H6	2.4580	1.0797	3.4687	2.0970	3.2255		4.5105	4.1669
H7	2.4599	3.4694	1.0769	3.3538	2.1980	4.5105		2.6507
H8	3.5761	3.1904	2.1691	2.1236	1.0793	4.1669	2.6507

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.540	S1	C2	H6	120.958
S1	C3	C5	109.715	S1	C3	H7	121.875
C2	S1	C3	89.079	C2	N4	C5	109.940
C3	C5	N4	115.726	C3	C5	H8	125.117
N4	C2	H6	123.502	N4	C5	H8	119.156
C5	C3	H7	128.411

All results from a given calculation for C₃H₃NS (Thiazole)

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

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)