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	hartrees
Energy at 0K	-568.095712
Energy at 298.15K
HF Energy	-567.384127
Nuclear repulsion energy	206.912231

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3389	3151	1.99
2	A'	3348	3113	2.61
3	A'	3345	3110	1.55
4	A'	1639	1524	26.99
5	A'	1524	1417	28.22
6	A'	1435	1334	7.70
7	A'	1338	1244	12.63
8	A'	1205	1120	5.35
9	A'	1120	1041	8.13
10	A'	939	873	15.87
11	A'	916	852	40.17
12	A'	807	750	1.22
13	A'	651	605	0.49
14	A"	997	927	0.02
15	A"	900	837	33.25
16	A"	797	741	32.26
17	A"	647	602	20.40
18	A"	496	461	0.05

Atom	x (Å)	y (Å)
S1	0.000	1.173
C2	-1.188	-0.064
C3	1.212	-0.035
N4	-0.734	-1.265
C5	0.635	-1.253
H6	-2.232	0.175
H7	2.253	0.204
H8	1.165	-2.183

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7150	1.7115	2.5468	2.5078	2.4452	2.4524	3.5528
C2	1.7150		2.4003	1.2845	2.1764	1.0713	3.4512	3.1669
C3	1.7115	2.4003		2.3027	1.3477	3.4508	1.0679	2.1485
N4	2.5468	1.2845	2.3027		1.3693	2.0783	3.3292	2.1096
C5	2.5078	2.1764	1.3477	1.3693		3.2032	2.1774	1.0707
H6	2.4452	1.0713	3.4508	2.0783	3.2032		4.4852	4.1358
H7	2.4524	3.4512	1.0679	3.3292	2.1774	4.4852		2.6234
H8	3.5528	3.1669	2.1485	2.1096	1.0707	4.1358	2.6234

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.478	S1	C2	H6	120.949
S1	C3	C5	109.548	S1	C3	H7	122.136
C2	S1	C3	88.933	C2	N4	C5	110.154
C3	C5	N4	115.887	C3	C5	H8	124.948
N4	C2	H6	123.572	N4	C5	H8	119.165
C5	C3	H7	128.316

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: CISD/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: CISD/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)