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	hartrees
Energy at 0K	-551.988645
Energy at 298.15K	-551.993027
HF Energy	-551.295955
Nuclear repulsion energy	202.892483

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3344	3124	2.13
2	A₁	3310	3093	2.72
3	A₁	1486	1389	10.49
4	A₁	1436	1341	1.76
5	A₁	1132	1058	5.46
6	A₁	1094	1022	1.88
7	A₁	887	828	24.22
8	A₁	630	588	0.03
9	A₂	866	809	0.00
10	A₂	673	629	0.00
11	A₂	549	513	0.00
12	B₁	856	800	0.61
13	B₁	732	684	116.18
14	B₁	457	427	1.56
15	B₂	3341	3122	0.06
16	B₂	3297	3081	3.85
17	B₂	1571	1468	0.02
18	B₂	1314	1228	10.83
19	B₂	1134	1059	3.77
20	B₂	912	852	0.41
21	B₂	780	729	0.07

Atom	y (Å)	z (Å)
S1	0.000	1.190
C2	1.233	-0.001
C3	-1.233	-0.001
C4	0.709	-1.272
C5	-0.709	-1.272
H6	2.269	0.290
H7	-2.269	0.290
H8	1.319	-2.162
H9	-1.319	-2.162

	S1	C2	C3	C4	C5	H6	H7	H8	H9
S1		1.7140	1.7140	2.5620	2.5620	2.4409	2.4409	3.6021	3.6021
C2	1.7140		2.4653	1.3747	2.3205	1.0766	3.5138	2.1625	3.3439
C3	1.7140	2.4653		2.3205	1.3747	3.5138	1.0766	3.3439	2.1625
C4	2.5620	1.3747	2.3205		1.4177	2.2079	3.3628	1.0791	2.2148
C5	2.5620	2.3205	1.3747	1.4177		3.3628	2.2079	2.2148	1.0791
H6	2.4409	1.0766	3.5138	2.2079	3.3628		4.5380	2.6296	4.3462
H7	2.4409	3.5138	1.0766	3.3628	2.2079	4.5380		4.3462	2.6296
H8	3.6021	2.1625	3.3439	1.0791	2.2148	2.6296	4.3462		2.6387
H9	3.6021	3.3439	2.1625	2.2148	1.0791	4.3462	2.6296	2.6387

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	111.619	S1	C2	H6	120.283
S1	C3	C5	111.619	S1	C3	H7	120.283
C2	S1	C3	91.967	C2	C4	C5	112.397
C2	C4	H8	123.149	C3	C5	C4	112.397
C3	C5	H9	123.149	C4	C2	H6	128.098
C4	C5	H9	124.454	C5	C3	H7	128.098
C5	C4	H8	124.454

All results from a given calculation for C₄H₄S (Thiophene)

using model chemistry: MP2=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 C4H4S (Thiophene)

using model chemistry: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for C₄H₄S (Thiophene)