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	hartrees
Energy at 0K	-568.483234
Energy at 298.15K
HF Energy	-567.384890
Nuclear repulsion energy	205.962203

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3298	3298	1.37
2	A'	3261	3261	1.15
3	A'	3259	3259	2.24
4	A'	1567	1567	22.44
5	A'	1462	1462	23.49
6	A'	1384	1384	8.05
7	A'	1296	1296	11.57
8	A'	1167	1167	5.00
9	A'	1082	1082	7.13
10	A'	909	909	13.73
11	A'	891	891	38.76
12	A'	781	781	0.66
13	A'	629	629	0.61
14	A"	942	942	0.17
15	A"	851	851	38.60
16	A"	764	764	27.24
17	A"	625	625	16.88
18	A"	481	481	0.01

Atom	x (Å)	y (Å)
S1	0.000	1.178
C2	-1.192	-0.063
C3	1.215	-0.030
N4	-0.737	-1.276
C5	0.638	-1.260
H6	-2.240	0.179
H7	2.259	0.215
H8	1.173	-2.193

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7205	1.7134	2.5626	2.5204	2.4529	2.4561	3.5695
C2	1.7205		2.4066	1.2955	2.1869	1.0759	3.4620	3.1829
C3	1.7134	2.4066		2.3158	1.3582	3.4611	1.0729	2.1632
N4	2.5626	1.2955	2.3158		1.3759	2.0915	3.3470	2.1194
C5	2.5204	2.1869	1.3582	1.3759		3.2180	2.1914	1.0754
H6	2.4529	1.0759	3.4611	2.0915	3.2180		4.4994	4.1565
H7	2.4561	3.4620	1.0729	3.3470	2.1914	4.4994		2.6414
H8	3.5695	3.1829	2.1632	2.1194	1.0754	4.1565	2.6414

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.635	S1	C2	H6	120.865
S1	C3	C5	109.742	S1	C3	H7	121.947
C2	S1	C3	88.988	C2	N4	C5	109.862
C3	C5	N4	115.773	C3	C5	H8	125.063
N4	C2	H6	123.500	N4	C5	H8	119.163
C5	C3	H7	128.311

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: CCSD=FULL/Def2TZVPP

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=FULL/Def2TZVPP

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)