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	hartrees
Energy at 0K	-568.045634
Energy at 298.15K
HF Energy	-567.285720
Nuclear repulsion energy	203.832303

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3275	3275
2	A'	3246	3246
3	A'	3237	3237
4	A'	1548	1548
5	A'	1462	1462
6	A'	1373	1373
7	A'	1288	1288
8	A'	1165	1165
9	A'	1076	1076
10	A'	896	896
11	A'	882	882
12	A'	764	764
13	A'	621	621
14	A"	867	867
15	A"	799	799
16	A"	720	720
17	A"	597	597
18	A"	461	461

Atom	x (Å)	y (Å)
S1	0.000	1.194
C2	-1.202	-0.068
C3	1.223	-0.031
N4	-0.742	-1.294
C5	0.644	-1.272
H6	-2.260	0.176
H7	2.278	0.220
H8	1.185	-2.215

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7430	1.7312	2.5967	2.5489	2.4791	2.4773	3.6091
C2	1.7430		2.4247	1.3088	2.2036	1.0868	3.4913	3.2099
C3	1.7312	2.4247		2.3361	1.3690	3.4894	1.0845	2.1838
N4	2.5967	1.3088	2.3361		1.3870	2.1133	3.3787	2.1363
C5	2.5489	2.2036	1.3690	1.3870		3.2458	2.2124	1.0869
H6	2.4791	1.0868	3.4894	2.1133	3.2458		4.5384	4.1940
H7	2.4773	3.4913	1.0845	3.3787	2.2124	4.5384		2.6689
H8	3.6091	3.2099	2.1838	2.1363	1.0869	4.1940	2.6689

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.886	S1	C2	H6	120.572
S1	C3	C5	110.063	S1	C3	H7	121.532
C2	S1	C3	88.520	C2	N4	C5	109.620
C3	C5	N4	115.911	C3	C5	H8	125.160
N4	C2	H6	123.542	N4	C5	H8	118.929
C5	C3	H7	128.405

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: QCISD(T)=FULL/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: QCISD(T)=FULL/6-31G*

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)