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	hartrees
Energy at 0K	-567.558774
Energy at 298.15K
HF Energy	-567.161675
Nuclear repulsion energy	199.887018

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3374	3164	2.55
2	A'	3358	3149	0.61
3	A'	3333	3125	2.39
4	A'	1607	1507	16.01
5	A'	1542	1446	54.53
6	A'	1391	1304	6.51
7	A'	1309	1228	15.59
8	A'	1195	1121	3.84
9	A'	1063	997	5.75
10	A'	906	850	14.61
11	A'	836	784	47.23
12	A'	700	657	3.39
13	A'	608	570	8.92
14	A"	952	893	1.16
15	A"	855	801	47.80
16	A"	790	741	36.87
17	A"	620	582	25.33
18	A"	461	433	1.13

Atom	x (Å)	y (Å)
S1	0.000	1.236
C2	-1.239	-0.098
C3	1.248	-0.068
N4	-0.748	-1.299
C5	0.665	-1.294
H6	-2.289	0.138
H7	2.296	0.179
H8	1.184	-2.239

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.8207	1.8049	2.6436	2.6158	2.5392	2.5281	3.6716
C2	1.8207		2.4867	1.2976	2.2479	1.0770	3.5457	3.2332
C3	1.8049	2.4867		2.3451	1.3574	3.5433	1.0769	2.1724
N4	2.6436	1.2976	2.3451		1.4129	2.1078	3.3839	2.1483
C5	2.6158	2.2479	1.3574	1.4129		3.2831	2.1974	1.0786
H6	2.5392	1.0770	3.5433	2.1078	3.2831		4.5858	4.2090
H7	2.5281	3.5457	1.0769	3.3839	2.1974	4.5858		2.6614
H8	3.6716	3.2332	2.1724	2.1483	1.0786	4.2090	2.6614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	114.906	S1	C2	H6	120.198
S1	C3	C5	110.831	S1	C3	H7	120.510
C2	S1	C3	86.608	C2	N4	C5	111.993
C3	C5	N4	115.662	C3	C5	H8	125.809
N4	C2	H6	124.895	N4	C5	H8	118.529
C5	C3	H7	128.659

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: CISD/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: CISD/6-31G

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)