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	hartrees
Energy at 0K	-567.985908
Energy at 298.15K
HF Energy	-567.286629
Nuclear repulsion energy	204.197445

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3296	3139	1.99
2	A'	3265	3109	1.20
3	A'	3258	3103	5.06
4	A'	1585	1509	21.94
5	A'	1497	1426	32.19
6	A'	1389	1322	7.13
7	A'	1302	1240	11.06
8	A'	1175	1119	4.99
9	A'	1087	1036	8.00
10	A'	907	864	11.19
11	A'	890	848	45.29
12	A'	773	736	0.88
13	A'	629	599	1.44
14	A"	890	847	0.05
15	A"	821	782	43.47
16	A"	737	701	21.92
17	A"	604	575	19.17
18	A"	466	444	0.00

Atom	x (Å)	y (Å)
S1	0.000	1.192
C2	-1.199	-0.069
C3	1.221	-0.034
N4	-0.743	-1.289
C5	0.645	-1.269
H6	-2.257	0.174
H7	2.275	0.216
H8	1.183	-2.211

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7403	1.7307	2.5902	2.5441	2.4762	2.4756	3.6033
C2	1.7403		2.4211	1.3027	2.2002	1.0855	3.4862	3.2041
C3	1.7307	2.4211		2.3314	1.3631	3.4850	1.0830	2.1779
N4	2.5902	1.3027	2.3314		1.3881	2.1057	3.3729	2.1357
C5	2.5441	2.2002	1.3631	1.3881		3.2411	2.2055	1.0854
H6	2.4762	1.0855	3.4850	2.1057	3.2411		4.5326	4.1866
H7	2.4756	3.4862	1.0830	3.3729	2.2055	4.5326		2.6621
H8	3.6033	3.2041	2.1779	2.1357	1.0854	4.1866	2.6621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.940	S1	C2	H6	120.619
S1	C3	C5	110.075	S1	C3	H7	121.533
C2	S1	C3	88.456	C2	N4	C5	109.662
C3	C5	N4	115.867	C3	C5	H8	125.231
N4	C2	H6	123.441	N4	C5	H8	118.902
C5	C3	H7	128.392

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: QCISD/6-31G*

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: QCISD/6-31G*

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)