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	hartrees
Energy at 0K	-568.083685
Energy at 298.15K
HF Energy	-567.347103
Nuclear repulsion energy	204.916413

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3294	3146	1.69
2	A'	3257	3110	2.37
3	A'	3254	3108	2.89
4	A'	1574	1503	23.80
5	A'	1473	1407	34.50
6	A'	1385	1323	7.49
7	A'	1296	1238	11.19
8	A'	1169	1116	5.33
9	A'	1087	1038	6.97
10	A'	916	875	11.19
11	A'	898	858	46.55
12	A'	783	748	0.82
13	A'	635	607	0.84
14	A"	899	858	0.09
15	A"	821	784	45.95
16	A"	737	704	24.85
17	A"	608	581	18.03
18	A"	465	444	0.07

Atom	x (Å)	y (Å)
S1	0.000	1.187
C2	-1.193	-0.066
C3	1.217	-0.031
N4	-0.741	-1.285
C5	0.641	-1.268
H6	-2.249	0.180
H7	2.268	0.219
H8	1.181	-2.207

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7303	1.7216	2.5802	2.5369	2.4642	2.4661	3.5931
C2	1.7303		2.4110	1.2999	2.1930	1.0838	3.4736	3.1967
C3	1.7216	2.4110		2.3254	1.3648	3.4726	1.0805	2.1764
N4	2.5802	1.2999	2.3254		1.3821	2.1019	3.3644	2.1315
C5	2.5369	2.1930	1.3648	1.3821		3.2321	2.2047	1.0831
H6	2.4642	1.0838	3.4726	2.1019	3.2321		4.5176	4.1782
H7	2.4661	3.4736	1.0805	3.3644	2.2047	4.5176		2.6589
H8	3.5931	3.1967	2.1764	2.1315	1.0831	4.1782	2.6589

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	116.026	S1	C2	H6	120.504
S1	C3	C5	110.027	S1	C3	H7	121.608
C2	S1	C3	88.602	C2	N4	C5	109.665
C3	C5	N4	115.680	C3	C5	H8	125.131
N4	C2	H6	123.470	N4	C5	H8	119.190
C5	C3	H7	128.365

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: CCD/6-311G**

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: CCD/6-311G**

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)