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	hartrees
Energy at 0K	-568.401991
Energy at 298.15K
HF Energy	-567.381962
Nuclear repulsion energy	205.117329

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3291	3169
2	A'	3250	3130
3	A'	3244	3124
4	A'	1501	1446
5	A'	1409	1357
6	A'	1354	1303
7	A'	1268	1221
8	A'	1158	1116
9	A'	1067	1027
10	A'	891	858
11	A'	880	847
12	A'	765	737
13	A'	615	592
14	A"	919	885
15	A"	825	794
16	A"	751	723
17	A"	622	599
18	A"	478	460

Atom	x (Å)	y (Å)
S1	0.000	1.184
C2	-1.198	-0.064
C3	1.218	-0.027
N4	-0.734	-1.288
C5	0.637	-1.266
H6	-2.245	0.180
H7	2.262	0.220
H8	1.178	-2.195

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7306	1.7183	2.5789	2.5315	2.4594	2.4586	3.5787
C2	1.7306		2.4166	1.3080	2.1930	1.0751	3.4712	3.1913
C3	1.7183	2.4166		2.3242	1.3681	3.4694	1.0721	2.1678
N4	2.5789	1.3080	2.3242		1.3715	2.1060	3.3539	2.1169
C5	2.5315	2.1930	1.3681	1.3715		3.2240	2.2015	1.0753
H6	2.4594	1.0751	3.4694	2.1060	3.2240		4.5067	4.1662
H7	2.4586	3.4712	1.0721	3.3539	2.2015	4.5067		2.6466
H8	3.5787	3.1913	2.1678	2.1169	1.0753	4.1662	2.6466

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.439	S1	C2	H6	120.667
S1	C3	C5	109.691	S1	C3	H7	121.822
C2	S1	C3	88.963	C2	N4	C5	109.835
C3	C5	N4	116.072	C3	C5	H8	124.616
N4	C2	H6	123.895	N4	C5	H8	119.311
C5	C3	H7	128.488

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: MP4=FULL/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: MP4=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)