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	hartrees
Energy at 0K	-568.141498
Energy at 298.15K
HF Energy	-567.358428
Nuclear repulsion energy	203.604137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3280	3159
2	A'	3246	3127
3	A'	3243	3124
4	A'	1526	1470
5	A'	1437	1384
6	A'	1357	1307
7	A'	1285	1238
8	A'	1156	1113
9	A'	1063	1024
10	A'	891	858
11	A'	867	835
12	A'	745	718
13	A'	610	588
14	A"	755	727
15	A"	750	722
16	A"	655	631
17	A"	523	503
18	A"	419	404

Atom	x (Å)	y (Å)
S1	0.000	1.200
C2	-1.203	-0.075
C3	1.225	-0.036
N4	-0.742	-1.295
C5	0.644	-1.272
H6	-2.256	0.169
H7	2.274	0.214
H8	1.180	-2.211

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7525	1.7402	2.6028	2.5546	2.4808	2.4788	3.6095
C2	1.7525		2.4277	1.3040	2.2007	1.0816	3.4891	3.2000
C3	1.7402	2.4277		2.3352	1.3656	3.4872	1.0792	2.1754
N4	2.6028	1.3040	2.3352		1.3863	2.1060	3.3732	2.1294
C5	2.5546	2.2007	1.3656	1.3863		3.2385	2.2065	1.0813
H6	2.4808	1.0816	3.4872	2.1060	3.2385		4.5311	4.1801
H7	2.4788	3.4891	1.0792	3.3732	2.2065	4.5311		2.6612
H8	3.6095	3.2000	2.1754	2.1294	1.0813	4.1801	2.6612

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.996	S1	C2	H6	120.308
S1	C3	C5	110.092	S1	C3	H7	121.298
C2	S1	C3	88.064	C2	N4	C5	109.736
C3	C5	N4	116.112	C3	C5	H8	125.107
N4	C2	H6	123.696	N4	C5	H8	118.781
C5	C3	H7	128.610

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: QCISD(T)/TZVP

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)/TZVP

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)