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	hartrees
Energy at 0K
Energy at 298.15K	0.064100
HF Energy	0.064100
Nuclear repulsion energy	91.058950

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3140	3059	68.22	59.22	0.30	0.46
2	A'	3085	3005	36.51	88.21	0.28	0.44
3	A'	3078	2998	87.63	45.67	0.64	0.78
4	A'	1662	1619	39.68	18.01	0.32	0.49
5	A'	1561	1520	90.14	114.03	0.17	0.30
6	A'	1353	1318	4.92	45.13	0.56	0.72
7	A'	1098	1070	14.05	0.41	0.44	0.61
8	A'	1061	1034	0.91	13.43	0.74	0.85
9	A'	1025	998	6.07	11.28	0.65	0.79
10	A'	876	853	14.87	0.14	0.26	0.41
11	A'	791	771	70.85	7.71	0.31	0.47
12	A'	675	658	4.49	12.71	0.72	0.84
13	A'	608	592	7.02	16.03	0.63	0.77
14	A"	946	921	3.10	9.26	0.75	0.86
15	A"	822	801	21.89	1.61	0.75	0.86
16	A"	790	770	42.96	0.30	0.75	0.86
17	A"	539	525	13.44	5.65	0.75	0.86
18	A"	398	388	0.66	0.69	0.75	0.86

Atom	x (Å)	y (Å)
S1	0.000	1.196
C2	-1.223	-0.053
C3	1.216	-0.032
N4	-0.738	-1.285
C5	0.671	-1.287
H6	-2.297	0.138
H7	2.280	0.194
H8	1.199	-2.243

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7484	1.7282	2.5889	2.5725	2.5290	2.4910	3.6423
C2	1.7484		2.4383	1.3237	2.2601	1.0908	3.5119	3.2647
C3	1.7282	2.4383		2.3208	1.3680	3.5163	1.0887	2.2110
N4	2.5889	1.3237	2.3208		1.4089	2.1104	3.3614	2.1606
C5	2.5725	2.2601	1.3680	1.4089		3.2919	2.1873	1.0920
H6	2.5290	1.0908	3.5163	2.1104	3.2919		4.5776	4.2291
H7	2.4910	3.5119	1.0887	3.3614	2.1873	4.5776		2.6664
H8	3.6423	3.2647	2.2110	2.1606	1.0920	4.2291	2.6664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	114.141	S1	C2	H6	124.294
S1	C3	C5	111.848	S1	C3	H7	122.707
C2	S1	C3	89.071	C2	N4	C5	111.563
C3	C5	N4	113.376	C3	C5	H8	127.643
N4	C2	H6	121.564	N4	C5	H8	118.981
C5	C3	H7	125.445

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: PM3

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: PM3

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)