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	hartrees
Energy at 0K	-564.865046
Energy at 298.15K
HF Energy	-564.360730
Nuclear repulsion energy	196.960168

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3273	3203
2	A'	3246	3177
3	A'	3231	3162
4	A'	1473	1442
5	A'	1409	1379
6	A'	1318	1290
7	A'	1234	1207
8	A'	1150	1125
9	A'	972	952
10	A'	843	825
11	A'	777	761
12	A'	630	617
13	A'	517	506
14	A"	924	905
15	A"	809	792
16	A"	767	751
17	A"	599	586
18	A"	445	435

Atom	x (Å)	y (Å)
S1	1.261	0.062
C2	-0.189	1.255
C3	0.000	-1.258
N4	-1.367	0.685
C5	-1.267	-0.743
H6	0.005	2.320
H7	0.294	-2.299
H8	-2.182	-1.323

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.8777	1.8258	2.7009	2.6531	2.5835	2.5517	3.7115
C2	1.8777		2.5200	1.3086	2.2704	1.0823	3.5866	3.2587
C3	1.8258	2.5200		2.3755	1.3671	3.5777	1.0818	2.1829
N4	2.7009	1.3086	2.3755		1.4318	2.1342	3.4150	2.1672
C5	2.6531	2.2704	1.3671	1.4318		3.3166	2.2034	1.0835
H6	2.5835	1.0823	3.5777	2.1342	3.3166		4.6278	4.2490
H7	2.5517	3.5866	1.0818	3.4150	2.2034	4.6278		2.6612
H8	3.7115	3.2587	2.1829	2.1672	1.0835	4.2490	2.6612

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	114.739	S1	C2	H6	119.110
S1	C3	C5	111.585	S1	C3	H7	120.541
C2	S1	C3	85.744	C2	N4	C5	111.807
C3	C5	N4	116.126	C3	C5	H8	125.540
N4	C2	H6	126.151	N4	C5	H8	118.334
C5	C3	H7	127.874

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: MP4=FULL/3-21G

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/3-21G

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)