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	hartrees
Energy at 0K	-568.249253
Energy at 298.15K
HF Energy	-567.382858
Nuclear repulsion energy	205.108504

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3294	3147	1.60
2	A'	3255	3110	1.32
3	A'	3253	3108	2.48
4	A'	1566	1496	22.63
5	A'	1468	1402	26.20
6	A'	1375	1314	6.61
7	A'	1287	1229	12.23
8	A'	1161	1110	4.62
9	A'	1075	1027	7.05
10	A'	900	860	13.78
11	A'	882	842	39.48
12	A'	772	738	0.61
13	A'	622	595	0.83
14	A"	934	892	0.15
15	A"	847	810	35.96
16	A"	754	721	27.70
17	A"	618	591	18.12
18	A"	474	453	0.01

Atom	x (Å)	y (Å)
S1	0.000	1.186
C2	-1.196	-0.068
C3	1.220	-0.034
N4	-0.740	-1.282
C5	0.640	-1.263
H6	-2.247	0.175
H7	2.267	0.212
H8	1.177	-2.198

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7324	1.7246	2.5761	2.5313	2.4639	2.4671	3.5828
C2	1.7324		2.4158	1.2971	2.1912	1.0785	3.4739	3.1890
C3	1.7246	2.4158		2.3232	1.3592	3.4728	1.0754	2.1651
N4	2.5761	1.2971	2.3232		1.3803	2.0959	3.3571	2.1245
C5	2.5313	2.1912	1.3592	1.3803		3.2255	2.1956	1.0781
H6	2.4639	1.0785	3.4728	2.0959	3.2255		4.5137	4.1657
H7	2.4671	3.4739	1.0754	3.3571	2.1956	4.5137		2.6451
H8	3.5828	3.1890	2.1651	2.1245	1.0781	4.1657	2.6451

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.753	S1	C2	H6	120.671
S1	C3	C5	109.768	S1	C3	H7	121.815
C2	S1	C3	88.664	C2	N4	C5	109.816
C3	C5	N4	115.999	C3	C5	H8	124.931
N4	C2	H6	123.576	N4	C5	H8	119.070
C5	C3	H7	128.418

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: QCISD/cc-pVTZ

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: QCISD/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)