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	hartrees
Energy at 0K	-568.086090
Energy at 298.15K
HF Energy	-567.317421
Nuclear repulsion energy	202.763596

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3276	3142
2	A'	3242	3109
3	A'	3240	3107
4	A'	1529	1466
5	A'	1444	1385
6	A'	1348	1293
7	A'	1255	1204
8	A'	1142	1095
9	A'	1054	1011
10	A'	879	843
11	A'	869	833
12	A'	755	724
13	A'	610	585
14	A"	882	846
15	A"	805	772
16	A"	724	694
17	A"	601	576
18	A"	457	438

Atom	x (Å)	y (Å)
S1	0.000	1.202
C2	-1.205	-0.071
C3	1.230	-0.030
N4	-0.746	-1.303
C5	0.643	-1.279
H6	-2.271	0.174
H7	2.293	0.220
H8	1.193	-2.225

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7525	1.7404	2.6139	2.5627	2.4928	2.4940	3.6280
C2	1.7525		2.4346	1.3145	2.2075	1.0944	3.5092	3.2224
C3	1.7404	2.4346		2.3510	1.3799	3.5068	1.0918	2.1952
N4	2.6139	1.3145	2.3510		1.3900	2.1230	3.3994	2.1468
C5	2.5627	2.2075	1.3799	1.3900		3.2566	2.2285	1.0937
H6	2.4928	1.0944	3.5068	2.1230	3.2566		4.5639	4.2132
H7	2.4940	3.5092	1.0918	3.3994	2.2285	4.5639		2.6806
H8	3.6280	3.2224	2.1952	2.1468	1.0937	4.2132	2.6806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	116.189	S1	C2	H6	120.467
S1	C3	C5	109.893	S1	C3	H7	121.740
C2	S1	C3	88.376	C2	N4	C5	109.386
C3	C5	N4	116.155	C3	C5	H8	124.705
N4	C2	H6	123.344	N4	C5	H8	119.140
C5	C3	H7	128.367

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: QCISD(T)=FULL/cc-pVDZ

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(T)=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)