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	hartrees
Energy at 0K	-568.038494
Energy at 298.15K
HF Energy	-567.318596
Nuclear repulsion energy	203.162798

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3291	3158	1.98
2	A'	3255	3123	2.58
3	A'	3253	3121	2.24
4	A'	1569	1505	22.11
5	A'	1481	1421	29.32
6	A'	1366	1310	5.05
7	A'	1271	1219	11.99
8	A'	1152	1105	4.93
9	A'	1067	1023	6.63
10	A'	890	854	12.16
11	A'	876	840	38.72
12	A'	764	733	0.70
13	A'	618	593	1.32
14	A"	907	870	0.04
15	A"	829	796	35.48
16	A"	742	712	24.70
17	A"	608	583	16.42
18	A"	463	444	0.01

Atom	x (Å)	y (Å)
S1	0.000	1.200
C2	-1.202	-0.072
C3	1.228	-0.033
N4	-0.747	-1.297
C5	0.643	-1.275
H6	-2.268	0.174
H7	2.291	0.214
H8	1.190	-2.222

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7500	1.7403	2.6063	2.5575	2.4894	2.4937	3.6227
C2	1.7500		2.4307	1.3070	2.2033	1.0939	3.5045	3.2161
C3	1.7403	2.4307		2.3451	1.3730	3.5025	1.0909	2.1892
N4	2.6063	1.3070	2.3451		1.3906	2.1160	3.3930	2.1461
C5	2.5575	2.2033	1.3730	1.3906		3.2523	2.2209	1.0929
H6	2.4894	1.0939	3.5025	2.1160	3.2523		4.5590	4.2067
H7	2.4937	3.5045	1.0909	3.3930	2.2209	4.5590		2.6735
H8	3.6227	3.2161	2.1892	2.1461	1.0929	4.2067	2.6735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	116.233	S1	C2	H6	120.410
S1	C3	C5	109.903	S1	C3	H7	121.782
C2	S1	C3	88.278	C2	N4	C5	109.481
C3	C5	N4	116.104	C3	C5	H8	124.810
N4	C2	H6	123.357	N4	C5	H8	119.086
C5	C3	H7	128.315

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: QCISD/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)