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	hartrees
Energy at 0K	-568.009894
Energy at 298.15K
HF Energy	-567.292463
Nuclear repulsion energy	204.369140

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3342	3146	2.10
2	A'	3307	3113	1.27
3	A'	3302	3109	5.77
4	A'	1590	1497	21.37
5	A'	1501	1413	33.13
6	A'	1397	1315	6.98
7	A'	1310	1234	10.66
8	A'	1178	1109	4.29
9	A'	1091	1027	7.63
10	A'	908	855	10.26
11	A'	891	839	44.33
12	A'	774	729	0.88
13	A'	630	593	1.29
14	A"	901	849	0.07
15	A"	831	782	38.18
16	A"	744	700	20.99
17	A"	604	569	17.35
18	A"	466	438	0.00

Atom	x (Å)	y (Å)
S1	0.000	1.192
C2	-1.198	-0.069
C3	1.220	-0.034
N4	-0.743	-1.289
C5	0.644	-1.269
H6	-2.250	0.174
H7	2.268	0.214
H8	1.182	-2.204

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7393	1.7294	2.5901	2.5435	2.4691	2.4699	3.5960
C2	1.7393		2.4188	1.3026	2.1987	1.0794	3.4779	3.1979
C3	1.7294	2.4188		2.3306	1.3629	3.4764	1.0767	2.1710
N4	2.5901	1.3026	2.3306		1.3874	2.1008	3.3657	2.1317
C5	2.5435	2.1987	1.3629	1.3874		3.2339	2.1991	1.0792
H6	2.4691	1.0794	3.4764	2.1008	3.2339		4.5181	4.1759
H7	2.4699	3.4779	1.0767	3.3657	2.1991	4.5181		2.6509
H8	3.5960	3.1979	2.1710	2.1317	1.0792	4.1759	2.6509

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	116.002	S1	C2	H6	120.507
S1	C3	C5	110.112	S1	C3	H7	121.580
C2	S1	C3	88.425	C2	N4	C5	109.603
C3	C5	N4	115.857	C3	C5	H8	125.084
N4	C2	H6	123.490	N4	C5	H8	119.059
C5	C3	H7	128.308

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)