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	hartrees
Energy at 0K	-564.934652
Energy at 298.15K
HF Energy	-564.484583
Nuclear repulsion energy	203.863475

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3362	3141	3.33
2	A'	3335	3116	1.03
3	A'	3331	3113	2.51
4	A'	1565	1462	7.40
5	A'	1477	1380	20.18
6	A'	1391	1300	26.75
7	A'	1337	1249	6.05
8	A'	1203	1124	6.66
9	A'	1052	983	3.22
10	A'	931	870	19.03
11	A'	886	828	49.18
12	A'	769	718	1.12
13	A'	652	610	4.73
14	A"	992	927	0.61
15	A"	897	838	39.40
16	A"	814	761	47.78
17	A"	649	606	20.24
18	A"	497	464	0.11

Atom	x (Å)	y (Å)
S1	0.000	1.190
C2	-1.211	-0.064
C3	1.222	-0.037
N4	-0.749	-1.283
C5	0.662	-1.273
H6	-2.257	0.183
H7	2.268	0.209
H8	1.193	-2.208

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7427	1.7311	2.5840	2.5507	2.4720	2.4710	3.6013
C2	1.7427		2.4327	1.3042	2.2298	1.0753	3.4896	3.2211
C3	1.7311	2.4327		2.3320	1.3574	3.4861	1.0749	2.1718
N4	2.5840	1.3042	2.3320		1.4113	2.1034	3.3662	2.1506
C5	2.5507	2.2298	1.3574	1.4113		3.2626	2.1856	1.0748
H6	2.4720	1.0753	3.4861	2.1034	3.2626		4.5257	4.1975
H7	2.4710	3.4896	1.0749	3.3662	2.1856	4.5257		2.6461
H8	3.6013	3.2211	2.1718	2.1506	1.0748	4.1975	2.6461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.254	S1	C2	H6	120.775
S1	C3	C5	110.769	S1	C3	H7	121.663
C2	S1	C3	88.899	C2	N4	C5	110.334
C3	C5	N4	114.743	C3	C5	H8	126.099
N4	C2	H6	123.971	N4	C5	H8	119.158
C5	C3	H7	127.568

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: CISD/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: CISD/3-21G*

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)