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	hartrees
Energy at 0K	-568.113414
Energy at 298.15K
HF Energy	-567.327257
Nuclear repulsion energy	202.175732

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3257	3184
2	A'	3233	3161
3	A'	3226	3154
4	A'	1506	1473
5	A'	1419	1388
6	A'	1333	1303
7	A'	1244	1216
8	A'	1131	1106
9	A'	1045	1022
10	A'	870	851
11	A'	856	837
12	A'	742	726
13	A'	603	589
14	A"	863	844
15	A"	787	769
16	A"	705	690
17	A"	588	575
18	A"	448	439

Atom	x (Å)	y (Å)
S1	0.000	1.204
C2	-1.212	-0.070
C3	1.235	-0.033
N4	-0.747	-1.303
C5	0.647	-1.284
H6	-2.277	0.176
H7	2.296	0.226
H8	1.193	-2.231

	S1	C2	C3	N4	C5	H6	H7	H8
S1		1.7588	1.7478	2.6165	2.5715	2.4988	2.4956	3.6371
C2	1.7588		2.4472	1.3181	2.2208	1.0933	3.5203	3.2337
C3	1.7478	2.4472		2.3540	1.3827	3.5183	1.0920	2.1992
N4	2.6165	1.3181	2.3540		1.3942	2.1286	3.4052	2.1505
C5	2.5715	2.2208	1.3827	1.3942		3.2690	2.2356	1.0931
H6	2.4988	1.0933	3.5183	2.1286	3.2690		4.5734	4.2237
H7	2.4956	3.5203	1.0920	3.4052	2.2356	4.5734		2.6933
H8	3.6371	3.2337	2.1992	2.1505	1.0931	4.2237	2.6933

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	N4	115.763	S1	C2	H6	120.558
S1	C3	C5	109.909	S1	C3	H7	121.260
C2	S1	C3	88.514	C2	N4	C5	109.891
C3	C5	N4	115.923	C3	C5	H8	124.908
N4	C2	H6	123.679	N4	C5	H8	119.169
C5	C3	H7	128.831

All results from a given calculation for C₃H₃NS (Thiazole)

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

States and conformations

All results from a given calculation for C₃H₃NS (Thiazole)