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	hartrees
Energy at 0K	-568.542522
Energy at 298.15K
HF Energy	-567.382960
Nuclear repulsion energy	205.127278

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3266	3266
2	A'	3232	3232
3	A'	3227	3227
4	A'	1483	1483
5	A'	1390	1390
6	A'	1345	1345
7	A'	1262	1262
8	A'	1148	1148
9	A'	1058	1058
10	A'	890	890
11	A'	880	880
12	A'	766	766
13	A'	614	614
14	A"	895	895
15	A"	802	802
16	A"	730	730
17	A"	615	615
18	A"	475	475

Atom	x (Å)	y (Å)
S1	0.000	1.181
C2	-1.198	-0.060
C3	1.219	-0.023
N4	-0.736	-1.288
C5	0.638	-1.266
H6	-2.249	0.184
H7	2.265	0.228
H8	1.179	-2.199

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7251	1.7133	2.5759	2.5293	2.4596	2.4572	3.5801
C2	1.7251		2.4175	1.3119	2.1973	1.0784	3.4753	3.1984
C3	1.7133	2.4175		2.3280	1.3725	3.4737	1.0758	2.1767
N4	2.5759	1.3119	2.3280		1.3738	2.1109	3.3617	2.1209
C5	2.5293	2.1973	1.3725	1.3738		3.2308	2.2093	1.0785
H6	2.4596	1.0784	3.4737	2.1109	3.2308		4.5139	4.1752
H7	2.4572	3.4753	1.0758	3.3617	2.2093	4.5139		2.6593
H8	3.5801	3.1984	2.1767	2.1209	1.0785	4.1752	2.6593

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.350	S1	C2	H6	120.902
S1	C3	C5	109.611	S1	C3	H7	121.852
C2	S1	C3	89.351	C2	N4	C5	109.773
C3	C5	N4	115.915	C3	C5	H8	124.841
N4	C2	H6	123.748	N4	C5	H8	119.243
C5	C3	H7	128.537

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: MP4=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: MP4=FULL/Def2TZVPP

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)