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	hartrees
Energy at 0K	-568.048093
Energy at 298.15K
HF Energy	-567.285208
Nuclear repulsion energy	203.867908

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3277	3151
2	A'	3246	3122
3	A'	3237	3113
4	A'	1521	1463
5	A'	1437	1382
6	A'	1368	1315
7	A'	1282	1233
8	A'	1164	1120
9	A'	1076	1034
10	A'	897	863
11	A'	885	851
12	A'	764	735
13	A'	621	597
14	A"	858	825
15	A"	788	758
16	A"	713	686
17	A"	600	577
18	A"	464	446

Atom	x (Å)	y (Å)
S1	0.000	1.193
C2	-1.202	-0.067
C3	1.222	-0.028
N4	-0.740	-1.296
C5	0.643	-1.272
H6	-2.261	0.179
H7	2.277	0.225
H8	1.187	-2.214

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7411	1.7272	2.5967	2.5476	2.4779	2.4743	3.6074
C2	1.7411		2.4249	1.3137	2.2045	1.0871	3.4917	3.2123
C3	1.7272	2.4249		2.3368	1.3729	3.4897	1.0847	2.1864
N4	2.5967	1.3137	2.3368		1.3834	2.1193	3.3791	2.1343
C5	2.5476	2.2045	1.3729	1.3834		3.2470	2.2164	1.0872
H6	2.4779	1.0871	3.4897	2.1193	3.2470		4.5386	4.1973
H7	2.4743	3.4917	1.0847	3.3791	2.2164	4.5386		2.6714
H8	3.6074	3.2123	2.1864	2.1343	1.0872	4.1973	2.6714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.726	S1	C2	H6	120.597
S1	C3	C5	110.002	S1	C3	H7	121.577
C2	S1	C3	88.719	C2	N4	C5	109.612
C3	C5	N4	115.941	C3	C5	H8	125.033
N4	C2	H6	123.677	N4	C5	H8	119.026
C5	C3	H7	128.421

All results from a given calculation for C₃H₃NS (Thiazole)

using model chemistry: MP4=FULL/6-31G*

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/6-31G*

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)