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	hartrees
Energy at 0K	-564.765391
Energy at 298.15K
HF Energy	-564.365975
Nuclear repulsion energy	199.621871

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3374	3176	2.82
2	A'	3343	3146	1.77
3	A'	3332	3136	1.64
4	A'	1593	1500	13.68
5	A'	1531	1441	48.19
6	A'	1385	1304	10.92
7	A'	1290	1215	14.17
8	A'	1198	1127	5.15
9	A'	1023	963	2.66
10	A'	894	842	17.02
11	A'	819	771	51.32
12	A'	675	636	3.77
13	A'	581	547	15.67
14	A"	1016	956	1.09
15	A"	887	835	41.36
16	A"	827	779	50.86
17	A"	631	594	20.93
18	A"	466	438	1.15

Atom	x (Å)	y (Å)
S1	0.000	1.241
C2	-1.245	-0.113
C3	1.247	-0.068
N4	-0.749	-1.302
C5	0.673	-1.287
H6	-2.293	0.126
H7	2.295	0.167
H8	1.194	-2.228

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.8399	1.8079	2.6505	2.6161	2.5496	2.5338	3.6685
C2	1.8399		2.4931	1.2879	2.2488	1.0745	3.5514	3.2281
C3	1.8079	2.4931		2.3464	1.3479	3.5454	1.0737	2.1607
N4	2.6505	1.2879	2.3464		1.4215	2.1031	3.3794	2.1519
C5	2.6161	2.2488	1.3479	1.4215		3.2852	2.1785	1.0753
H6	2.5496	1.0745	3.5454	2.1031	3.2852		4.5880	4.2068
H7	2.5338	3.5514	1.0737	3.3794	2.1785	4.5880		2.6359
H8	3.6685	3.2281	2.1607	2.1519	1.0753	4.2068	2.6359

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	114.710	S1	C2	H6	119.730
S1	C3	C5	111.153	S1	C3	H7	120.991
C2	S1	C3	86.222	C2	N4	C5	112.107
C3	C5	N4	115.808	C3	C5	H8	125.796
N4	C2	H6	125.561	N4	C5	H8	118.395
C5	C3	H7	127.856

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: CISD/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: CISD/3-21G

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)