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	hartrees
Energy at 0K	-38.495215
Energy at 298.15K
HF Energy	-37.809819
Nuclear repulsion energy	76.696608

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'	3283	3128	1.38	125.75	0.20	0.33
2	A'	3258	3104	0.05	96.67	0.30	0.46
3	A'	3251	3098	4.04	97.92	0.47	0.64
4	A'	1477	1407	13.50	4.44	0.37	0.54
5	A'	1396	1330	30.18	20.00	0.23	0.37
6	A'	1357	1293	10.02	5.77	0.45	0.62
7	A'	1266	1206	11.76	3.00	0.41	0.58
8	A'	1157	1102	6.86	4.23	0.56	0.72
9	A'	1068	1018	9.09	11.78	0.15	0.27
10	A'	905	862	6.44	8.25	0.14	0.24
11	A'	890	848	48.62	8.47	0.15	0.25
12	A'	774	737	0.77	6.01	0.73	0.85
13	A'	622	592	0.68	9.78	0.40	0.57
14	A"	809	771	4.74	0.95	0.75	0.86
15	A"	766	730	95.23	0.07	0.75	0.86
16	A"	688	656	2.53	1.04	0.75	0.86
17	A"	590	562	11.31	0.17	0.75	0.86
18	A"	450	429	0.23	0.20	0.75	0.86

Atom	x (Å)	y (Å)
S1	0.000	1.194
C2	-1.207	-0.062
C3	1.227	-0.023
N4	-0.740	-1.302
C5	0.643	-1.279
H6	-2.265	0.181
H7	2.280	0.233
H8	1.189	-2.218

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7423	1.7279	2.6037	2.5555	2.4814	2.4739	3.6129
C2	1.7423		2.4346	1.3254	2.2144	1.0856	3.4996	3.2228
C3	1.7279	2.4346		2.3465	1.3860	3.4982	1.0835	2.1955
N4	2.6037	1.3254	2.3465		1.3826	2.1279	3.3877	2.1346
C5	2.5555	2.2144	1.3860	1.3826		3.2540	2.2291	1.0856
H6	2.4814	1.0856	3.4982	2.1279	3.2540		4.5453	4.2052
H7	2.4739	3.4996	1.0835	3.3877	2.2291	4.5453		2.6831
H8	3.6129	3.2228	2.1955	2.1346	1.0856	4.2052	2.6831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.482	S1	C2	H6	120.915
S1	C3	C5	109.820	S1	C3	H7	121.578
C2	S1	C3	89.107	C2	N4	C5	109.702
C3	C5	N4	115.890	C3	C5	H8	124.872
N4	C2	H6	123.603	N4	C5	H8	119.239
C5	C3	H7	128.602

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)