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	hartrees
Energy at 0K	-552.047382
Energy at 298.15K
HF Energy	-551.357277
Nuclear repulsion energy	202.447598

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3299	3127	1.72
2	A₁	3268	3098	1.94
3	A₁	1453	1377	9.09
4	A₁	1409	1336	2.42
5	A₁	1116	1058	5.18
6	A₁	1078	1022	2.69
7	A₁	870	825	25.79
8	A₁	618	586	0.05
9	A₂	689	653	0.00
10	A₂	557	528	0.00
11	A₂	291i	276i	0.00
12	B₁	743	704	0.38
13	B₁	670	636	146.13
14	B₁	422	400	2.06
15	B₂	3296	3124	0.00
16	B₂	3255	3085	3.26
17	B₂	1539	1459	0.09
18	B₂	1294	1227	12.35
19	B₂	1118	1060	4.90
20	B₂	896	849	0.79
21	B₂	765	726	0.22

Atom	y (Å)	z (Å)
S1	0.000	1.195
C2	1.235	-0.006
C3	-1.235	-0.006
C4	0.708	-1.274
C5	-0.708	-1.274
H6	2.273	0.286
H7	-2.273	0.286
H8	1.318	-2.166
H9	-1.318	-2.166

	S1	C2	C3	C4	C5	H6	H7	H8	H9
S1		1.7234	1.7234	2.5688	2.5688	2.4484	2.4484	3.6107	3.6107
C2	1.7234		2.4706	1.3727	2.3204	1.0782	3.5206	2.1616	3.3441
C3	1.7234	2.4706		2.3204	1.3727	3.5206	1.0782	3.3441	2.1616
C4	2.5688	1.3727	2.3204		1.4167	2.2093	3.3648	1.0806	2.2138
C5	2.5688	2.3204	1.3727	1.4167		3.3648	2.2093	2.2138	1.0806
H6	2.4484	1.0782	3.5206	2.2093	3.3648		4.5463	2.6317	4.3481
H7	2.4484	3.5206	1.0782	3.3648	2.2093	4.5463		4.3481	2.6317
H8	3.6107	2.1616	3.3441	1.0806	2.2138	2.6317	4.3481		2.6352
H9	3.6107	3.3441	2.1616	2.2138	1.0806	4.3481	2.6317	2.6352

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	111.637	S1	C2	H6	120.072
S1	C3	C5	111.637	S1	C3	H7	120.072
C2	S1	C3	91.580	C2	C4	C5	112.573
C2	C4	H8	123.107	C3	C5	C4	112.573
C3	C5	H9	123.107	C4	C2	H6	128.291
C4	C5	H9	124.319	C5	C3	H7	128.291
C5	C4	H8	124.319

All results from a given calculation for C₄H₄S (Thiophene)

using model chemistry: MP2/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 C4H4S (Thiophene)

using model chemistry: MP2/TZVP

States and conformations

All results from a given calculation for C₄H₄S (Thiophene)