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	hartrees
Energy at 0K	-568.020123
Energy at 298.15K
HF Energy	-567.298631
Nuclear repulsion energy	204.397976

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3338	3117	1.47
2	A'	3308	3089	0.08
3	A'	3304	3086	3.85
4	A'	1580	1475	23.56
5	A'	1488	1390	37.00
6	A'	1394	1301	6.51
7	A'	1308	1222	10.76
8	A'	1175	1098	5.66
9	A'	1089	1017	8.18
10	A'	911	851	10.25
11	A'	893	834	41.44
12	A'	775	724	0.62
13	A'	632	590	1.27
14	A"	882	824	0.01
15	A"	820	766	52.67
16	A"	726	678	24.29
17	A"	591	552	20.26
18	A"	456	426	0.09

Atom	x (Å)	y (Å)
S1	0.000	1.190
C2	-1.199	-0.065
C3	1.221	-0.033
N4	-0.743	-1.288
C5	0.644	-1.271
H6	-2.250	0.176
H7	2.269	0.214
H8	1.180	-2.207

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7360	1.7281	2.5872	2.5440	2.4684	2.4707	3.5968
C2	1.7360		2.4195	1.3046	2.2021	1.0793	3.4791	3.2009
C3	1.7281	2.4195		2.3302	1.3653	3.4775	1.0772	2.1747
N4	2.5872	1.3046	2.3302		1.3873	2.1017	3.3655	2.1314
C5	2.5440	2.2021	1.3653	1.3873		3.2364	2.2006	1.0790
H6	2.4684	1.0793	3.4775	2.1017	3.2364		4.5200	4.1774
H7	2.4707	3.4791	1.0772	3.3655	2.2006	4.5200		2.6545
H8	3.5968	3.2009	2.1747	2.1314	1.0790	4.1774	2.6545

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.886	S1	C2	H6	120.721
S1	C3	C5	110.097	S1	C3	H7	121.717
C2	S1	C3	88.602	C2	N4	C5	109.738
C3	C5	N4	115.677	C3	C5	H8	125.268
N4	C2	H6	123.392	N4	C5	H8	119.055
C5	C3	H7	128.186

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: CCSD/6-31+G**

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: CCSD/6-31+G**

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)