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	hartrees
Energy at 0K	-564.835271
Energy at 298.15K
HF Energy	-564.362627
Nuclear repulsion energy	197.533072

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3280	3179	2.39
2	A'	3252	3152	2.13
3	A'	3238	3138	1.67
4	A'	1526	1479	11.38
5	A'	1470	1425	43.01
6	A'	1339	1298	13.39
7	A'	1249	1210	14.58
8	A'	1161	1125	4.78
9	A'	978	948	1.99
10	A'	854	828	17.05
11	A'	783	759	46.74
12	A'	640	620	3.66
13	A'	537	521	19.86
14	A"	951	921	0.75
15	A"	836	811	41.82
16	A"	783	759	44.17
17	A"	601	582	18.47
18	A"	444	430	0.96

Atom	x (Å)	y (Å)
S1	1.257	0.067
C2	-0.191	1.249
C3	0.000	-1.257
N4	-1.360	0.682
C5	-1.260	-0.749
H6	-0.007	2.315
H7	0.295	-2.297
H8	-2.176	-1.326

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.8697	1.8260	2.6881	2.6461	2.5787	2.5526	3.7048
C2	1.8697		2.5138	1.2986	2.2656	1.0814	3.5795	3.2512
C3	1.8260	2.5138		2.3684	1.3589	3.5720	1.0809	2.1767
N4	2.6881	1.2986	2.3684		1.4340	2.1204	3.4077	2.1677
C5	2.6461	2.2656	1.3589	1.4340		3.3097	2.1945	1.0826
H6	2.5787	1.0814	3.5720	2.1204	3.3097		4.6218	4.2380
H7	2.5526	3.5795	1.0809	3.4077	2.1945	4.6218		2.6544
H8	3.7048	3.2512	2.1767	2.1677	1.0826	4.2380	2.6544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	114.884	S1	C2	H6	119.389
S1	C3	C5	111.524	S1	C3	H7	120.665
C2	S1	C3	85.708	C2	N4	C5	111.918
C3	C5	N4	115.965	C3	C5	H8	125.764
N4	C2	H6	125.726	N4	C5	H8	118.271
C5	C3	H7	127.811

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: QCISD/3-21G

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/3-21G

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)