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	hartrees
Energy at 0K	-568.045882
Energy at 298.15K
HF Energy	-567.339540
Nuclear repulsion energy	205.039636

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'	3289	3126	1.43	116.11	0.21	0.35
2	A'	3260	3098	0.10	98.03	0.29	0.45
3	A'	3255	3093	3.65	93.93	0.51	0.68
4	A'	1493	1419	13.57	3.38	0.36	0.53
5	A'	1410	1340	26.78	16.08	0.27	0.42
6	A'	1371	1303	12.68	5.43	0.44	0.62
7	A'	1277	1214	10.22	2.87	0.37	0.55
8	A'	1169	1111	6.93	4.28	0.50	0.67
9	A'	1082	1028	8.40	10.69	0.18	0.30
10	A'	916	870	9.01	8.01	0.16	0.28
11	A'	902	858	49.02	6.81	0.16	0.28
12	A'	786	747	0.87	5.35	0.72	0.84
13	A'	633	601	0.36	8.39	0.44	0.61
14	A"	846	804	2.40	0.93	0.75	0.86
15	A"	772	734	80.00	0.04	0.75	0.86
16	A"	698	664	9.15	0.91	0.75	0.86
17	A"	606	576	15.84	0.34	0.75	0.86
18	A"	466	443	0.64	0.07	0.75	0.86

Atom	x (Å)	y (Å)
S1	0.000	1.182
C2	-1.195	-0.059
C3	1.216	-0.020
N4	-0.734	-1.291
C5	0.636	-1.270
H6	-2.251	0.187
H7	2.266	0.236
H8	1.184	-2.205

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7233	1.7100	2.5802	2.5333	2.4612	2.4562	3.5884
C2	1.7233		2.4114	1.3158	2.1955	1.0837	3.4743	3.2040
C3	1.7100	2.4114		2.3274	1.3776	3.4727	1.0814	2.1852
N4	2.5802	1.3158	2.3274		1.3702	2.1178	3.3667	2.1242
C5	2.5333	2.1955	1.3776	1.3702		3.2335	2.2193	1.0838
H6	2.4612	1.0837	3.4727	2.1178	3.2335		4.5175	4.1853
H7	2.4562	3.4743	1.0814	3.3667	2.2193	4.5175		2.6704
H8	3.5884	3.2040	2.1852	2.1242	1.0838	4.1853	2.6704

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.555	S1	C2	H6	120.815
S1	C3	C5	109.800	S1	C3	H7	121.620
C2	S1	C3	89.232	C2	N4	C5	109.632
C3	C5	N4	115.781	C3	C5	H8	124.768
N4	C2	H6	123.629	N4	C5	H8	119.451
C5	C3	H7	128.580

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)