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	hartrees
Energy at 0K	-568.144742
Energy at 298.15K
HF Energy	-567.312975
Nuclear repulsion energy	205.047282

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3317	3136	2.04
2	A'	3281	3102	0.22
3	A'	3274	3096	3.14
4	A'	1573	1488	23.80
5	A'	1477	1396	26.42
6	A'	1380	1305	5.86
7	A'	1291	1221	12.70
8	A'	1170	1106	3.95
9	A'	1079	1020	6.91
10	A'	901	852	15.90
11	A'	885	837	41.59
12	A'	777	734	0.92
13	A'	624	590	0.84
14	A"	937	886	0.01
15	A"	850	804	31.65
16	A"	762	720	21.52
17	A"	618	585	15.28
18	A"	474	448	0.00

Atom	x (Å)	y (Å)
S1	0.000	1.185
C2	-1.197	-0.067
C3	1.221	-0.033
N4	-0.740	-1.282
C5	0.641	-1.263
H6	-2.250	0.176
H7	2.269	0.217
H8	1.176	-2.201

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7321	1.7244	2.5759	2.5302	2.4655	2.4670	3.5847
C2	1.7321		2.4177	1.2978	2.1922	1.0806	3.4774	3.1911
C3	1.7244	2.4177		2.3252	1.3597	3.4766	1.0775	2.1690
N4	2.5759	1.2978	2.3252		1.3813	2.0986	3.3620	2.1252
C5	2.5302	2.1922	1.3597	1.3813		3.2286	2.1999	1.0804
H6	2.4655	1.0806	3.4766	2.0986	3.2286		4.5187	4.1695
H7	2.4670	3.4774	1.0775	3.3620	2.1999	4.5187		2.6537
H8	3.5847	3.1911	2.1690	2.1252	1.0804	4.1695	2.6537

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.711	S1	C2	H6	120.691
S1	C3	C5	109.684	S1	C3	H7	121.676
C2	S1	C3	88.769	C2	N4	C5	109.779
C3	C5	N4	116.057	C3	C5	H8	125.076
N4	C2	H6	123.598	N4	C5	H8	118.867
C5	C3	H7	128.640

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: CCSD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)