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	hartrees
Energy at 0K	-568.535443
Energy at 298.15K
HF Energy	-567.383674
Nuclear repulsion energy	205.140926

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3270	3270
2	A'	3236	3236
3	A'	3233	3233
4	A'	1517	1517
5	A'	1420	1420
6	A'	1355	1355
7	A'	1273	1273
8	A'	1150	1150
9	A'	1063	1063
10	A'	891	891
11	A'	877	877
12	A'	765	765
13	A'	615	615
14	A"	906	906
15	A"	818	818
16	A"	739	739
17	A"	612	612
18	A"	472	472

Atom	x (Å)	y (Å)
S1	0.000	1.183
C2	-1.197	-0.063
C3	1.219	-0.027
N4	-0.738	-1.285
C5	0.640	-1.266
H6	-2.247	0.180
H7	2.264	0.222
H8	1.178	-2.199

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7279	1.7174	2.5759	2.5307	2.4606	2.4598	3.5813
C2	1.7279		2.4155	1.3048	2.1949	1.0778	3.4729	3.1938
C3	1.7174	2.4155		2.3259	1.3669	3.4714	1.0752	2.1722
N4	2.5759	1.3048	2.3259		1.3779	2.1026	3.3596	2.1230
C5	2.5307	2.1949	1.3669	1.3779		3.2280	2.2031	1.0776
H6	2.4606	1.0778	3.4714	2.1026	3.2280		4.5113	4.1698
H7	2.4598	3.4729	1.0752	3.3596	2.2031	4.5113		2.6539
H8	3.5813	3.1938	2.1722	2.1230	1.0776	4.1698	2.6539

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.587	S1	C2	H6	120.805
S1	C3	C5	109.750	S1	C3	H7	121.775
C2	S1	C3	89.031	C2	N4	C5	109.775
C3	C5	N4	115.857	C3	C5	H8	124.974
N4	C2	H6	123.608	N4	C5	H8	119.169
C5	C3	H7	128.475

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: QCISD(T)=FULL/Def2TZVPP

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(T)=FULL/Def2TZVPP

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)