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	hartrees
Energy at 0K	-568.104997
Energy at 298.15K
HF Energy	-567.359692
Nuclear repulsion energy	204.233291

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3304	3156	1.53
2	A'	3268	3122	1.09
3	A'	3266	3120	3.59
4	A'	1570	1499	23.82
5	A'	1478	1412	34.87
6	A'	1379	1318	6.88
7	A'	1304	1245	12.64
8	A'	1170	1118	5.30
9	A'	1077	1029	8.36
10	A'	905	864	14.33
11	A'	877	837	38.41
12	A'	758	724	0.60
13	A'	620	593	2.10
14	A"	807	771	0.00
15	A"	786	751	59.10
16	A"	689	658	8.93
17	A"	553	528	19.36
18	A"	439	419	0.54

Atom	x (Å)	y (Å)
S1	0.000	1.196
C2	-1.199	-0.075
C3	1.222	-0.040
N4	-0.742	-1.287
C5	0.643	-1.268
H6	-2.252	0.167
H7	2.271	0.206
H8	1.177	-2.206

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7476	1.7379	2.5916	2.5461	2.4761	2.4775	3.5997
C2	1.7476		2.4219	1.2957	2.1948	1.0800	3.4819	3.1917
C3	1.7379	2.4219		2.3269	1.3577	3.4804	1.0772	2.1668
N4	2.5916	1.2957	2.3269		1.3852	2.0963	3.3627	2.1273
C5	2.5461	2.1948	1.3577	1.3852		3.2310	2.1957	1.0795
H6	2.4761	1.0800	3.4804	2.0963	3.2310		4.5233	4.1697
H7	2.4775	3.4819	1.0772	3.3627	2.1957	4.5233		2.6485
H8	3.5997	3.1917	2.1668	2.1273	1.0795	4.1697	2.6485

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.980	S1	C2	H6	120.407
S1	C3	C5	110.064	S1	C3	H7	121.515
C2	S1	C3	88.031	C2	N4	C5	109.865
C3	C5	N4	116.060	C3	C5	H8	125.130
N4	C2	H6	123.612	N4	C5	H8	118.811
C5	C3	H7	128.422

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: QCISD/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)