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	hartrees
Energy at 0K	-552.089764
Energy at 298.15K	-552.094179
HF Energy	-551.312943
Nuclear repulsion energy	203.032926

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3311	3128	2.44
2	A₁	3279	3097	0.38
3	A₁	1452	1372	7.74
4	A₁	1393	1316	1.15
5	A₁	1106	1044	2.98
6	A₁	1079	1019	3.26
7	A₁	876	827	21.93
8	A₁	617	583	0.00
9	A₂	915	864	0.00
10	A₂	686	648	0.00
11	A₂	578	546	0.00
12	B₁	871	823	0.00
13	B₁	744	703	102.36
14	B₁	463	438	1.43
15	B₂	3309	3125	0.91
16	B₂	3265	3084	2.28
17	B₂	1526	1442	0.12
18	B₂	1276	1205	11.63
19	B₂	1107	1046	3.50
20	B₂	898	848	0.21
21	B₂	774	731	0.14

Atom	y (Å)	z (Å)
S1	0.000	1.185
C2	1.235	0.001
C3	-1.235	0.001
C4	0.708	-1.271
C5	-0.708	-1.271
H6	2.271	0.300
H7	-2.271	0.300
H8	1.318	-2.164
H9	-1.318	-2.164

	S1	C2	C3	C4	C5	H6	H7	H8	H9
S1		1.7105	1.7105	2.5558	2.5558	2.4380	2.4380	3.5986	3.5986
C2	1.7105		2.4695	1.3771	2.3219	1.0787	3.5188	2.1666	3.3469
C3	1.7105	2.4695		2.3219	1.3771	3.5188	1.0787	3.3469	2.1666
C4	2.5558	1.3771	2.3219		1.4152	2.2162	3.3676	1.0814	2.2133
C5	2.5558	2.3219	1.3771	1.4152		3.3676	2.2162	2.2133	1.0814
H6	2.4380	1.0787	3.5188	2.2162	3.3676		4.5429	2.6414	4.3530
H7	2.4380	3.5188	1.0787	3.3676	2.2162	4.5429		4.3530	2.6414
H8	3.5986	2.1666	3.3469	1.0814	2.2133	2.6414	4.3530		2.6352
H9	3.5986	3.3469	2.1666	2.2133	1.0814	4.3530	2.6414	2.6352

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	111.284	S1	C2	H6	120.166
S1	C3	C5	111.284	S1	C3	H7	120.166
C2	S1	C3	92.418	C2	C4	C5	112.507
C2	C4	H8	123.152	C3	C5	C4	112.507
C3	C5	H9	123.152	C4	C2	H6	128.550
C4	C5	H9	124.341	C5	C3	H7	128.550
C5	C4	H8	124.341

All results from a given calculation for C₄H₄S (Thiophene)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₄S (Thiophene)