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	hartrees
Energy at 0K	-565.009443
Energy at 298.15K
HF Energy	-564.482186
Nuclear repulsion energy	202.340011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3272	3130	3.12
2	A'	3247	3106	1.74
3	A'	3244	3103	2.13
4	A'	1508	1442	4.86
5	A'	1427	1365	14.97
6	A'	1345	1286	29.27
7	A'	1303	1246	5.94
8	A'	1170	1119	5.79
9	A'	1011	967	1.61
10	A'	900	861	21.77
11	A'	860	822	43.92
12	A'	741	709	1.80
13	A'	628	601	5.58
14	A"	927	886	0.54
15	A"	846	809	39.08
16	A"	771	737	41.77
17	A"	621	594	17.25
18	A"	475	455	0.09

Atom	x (Å)	y (Å)
S1	0.000	1.200
C2	-1.217	-0.066
C3	1.228	-0.035
N4	-0.756	-1.297
C5	0.668	-1.282
H6	-2.270	0.184
H7	2.281	0.216
H8	1.204	-2.222

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7563	1.7415	2.6092	2.5703	2.4868	2.4836	3.6277
C2	1.7563		2.4456	1.3149	2.2436	1.0822	3.5092	3.2422
C3	1.7415	2.4456		2.3517	1.3670	3.5050	1.0820	2.1874
N4	2.6092	1.3149	2.3517		1.4243	2.1187	3.3928	2.1672
C5	2.5703	2.2436	1.3670	1.4243		3.2840	2.2009	1.0821
H6	2.4868	1.0822	3.5050	2.1187	3.2840		4.5507	4.2264
H7	2.4836	3.5092	1.0820	3.3928	2.2009	4.5507		2.6654
H8	3.6277	3.2422	2.1874	2.1672	1.0821	4.2264	2.6654

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.584	S1	C2	H6	120.487
S1	C3	C5	110.982	S1	C3	H7	121.425
C2	S1	C3	88.720	C2	N4	C5	109.921
C3	C5	N4	114.793	C3	C5	H8	126.143
N4	C2	H6	123.929	N4	C5	H8	119.064
C5	C3	H7	127.593

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: CCD/3-21G*

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: CCD/3-21G*

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)