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	hartrees
Energy at 0K	-568.394000
Energy at 298.15K
HF Energy	-567.382640
Nuclear repulsion energy	205.213901

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3297	3159
2	A'	3257	3120
3	A'	3250	3114
4	A'	1535	1471
5	A'	1440	1379
6	A'	1364	1307
7	A'	1279	1225
8	A'	1162	1113
9	A'	1072	1027
10	A'	894	856
11	A'	879	842
12	A'	767	735
13	A'	618	592
14	A"	931	891
15	A"	841	805
16	A"	759	727
17	A"	620	594
18	A"	475	455

Atom	x (Å)	y (Å)
S1	0.000	1.185
C2	-1.196	-0.067
C3	1.218	-0.031
N4	-0.737	-1.284
C5	0.638	-1.264
H6	-2.243	0.176
H7	2.261	0.216
H8	1.177	-2.194

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7317	1.7214	2.5770	2.5310	2.4597	2.4597	3.5782
C2	1.7317		2.4149	1.3014	2.1905	1.0743	3.4687	3.1867
C3	1.7214	2.4149		2.3221	1.3628	3.4674	1.0714	2.1635
N4	2.5770	1.3014	2.3221		1.3748	2.0977	3.3519	2.1184
C5	2.5310	2.1905	1.3628	1.3748		3.2207	2.1964	1.0746
H6	2.4597	1.0743	3.4674	2.0977	3.2207		4.5039	4.1602
H7	2.4597	3.4687	1.0714	3.3519	2.1964	4.5039		2.6428
H8	3.5782	3.1867	2.1635	2.1184	1.0746	4.1602	2.6428

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.613	S1	C2	H6	120.656
S1	C3	C5	109.751	S1	C3	H7	121.716
C2	S1	C3	88.748	C2	N4	C5	109.847
C3	C5	N4	116.040	C3	C5	H8	124.734
N4	C2	H6	123.731	N4	C5	H8	119.226
C5	C3	H7	128.533

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: CCSD(T)=FULL/cc-pVTZ

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: CCSD(T)=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)