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	hartrees
Energy at 0K	-568.132000
Energy at 298.15K
HF Energy	-567.327707
Nuclear repulsion energy	202.453318

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3266	3169
2	A'	3237	3140
3	A'	3231	3134
4	A'	1509	1464
5	A'	1422	1379
6	A'	1336	1296
7	A'	1246	1209
8	A'	1133	1099
9	A'	1046	1015
10	A'	873	847
11	A'	860	834
12	A'	745	723
13	A'	605	587
14	A"	865	839
15	A"	792	768
16	A"	703	682
17	A"	591	573
18	A"	450	437

Atom	x (Å)	y (Å)
S1	0.000	1.202
C2	-1.210	-0.068
C3	1.233	-0.032
N4	-0.746	-1.301
C5	0.646	-1.283
H6	-2.275	0.176
H7	2.293	0.225
H8	1.191	-2.230

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7546	1.7449	2.6124	2.5677	2.4956	2.4928	3.6326
C2	1.7546		2.4439	1.3175	2.2184	1.0925	3.5158	3.2306
C3	1.7449	2.4439		2.3517	1.3819	3.5147	1.0906	2.1980
N4	2.6124	1.3175	2.3517		1.3925	2.1261	3.4013	2.1481
C5	2.5677	2.2184	1.3819	1.3925		3.2653	2.2332	1.0923
H6	2.4956	1.0925	3.5147	2.1261	3.2653		4.5686	4.2191
H7	2.4928	3.5158	1.0906	3.4013	2.2332	4.5686		2.6910
H8	3.6326	3.2306	2.1980	2.1481	1.0923	4.2191	2.6910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.773	S1	C2	H6	120.673
S1	C3	C5	109.865	S1	C3	H7	121.343
C2	S1	C3	88.590	C2	N4	C5	109.860
C3	C5	N4	115.912	C3	C5	H8	124.932
N4	C2	H6	123.554	N4	C5	H8	119.156
C5	C3	H7	128.792

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: QCISD(T)=FULL/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)