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	hartrees
Energy at 0K	-553.157080
Energy at 298.15K	-553.163905
HF Energy	-552.455023
Nuclear repulsion energy	215.782719

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3261	3060	15.49
2	A₁	3121	2928	0.18
3	A₁	1769	1660	4.72
4	A₁	1559	1463	5.88
5	A₁	1357	1273	0.03
6	A₁	1185	1111	0.46
7	A₁	993	932	0.08
8	A₁	752	706	1.85
9	A₁	534	501	0.14
10	A₂	3163	2968	0.00
11	A₂	1194	1120	0.00
12	A₂	1012	949	0.00
13	A₂	958	899	0.00
14	A₂	374	351	0.00
15	B₁	3164	2969	19.31
16	B₁	1178	1105	10.70
17	B₁	957	898	0.41
18	B₁	699	656	45.84
19	B₁	81	76	4.55
20	B₂	3238	3039	2.61
21	B₂	3121	2929	53.41
22	B₂	1555	1459	0.02
23	B₂	1412	1325	2.75
24	B₂	1321	1240	7.97
25	B₂	1014	952	5.32
26	B₂	850	798	0.59
27	B₂	675	633	0.02

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.248
C2	0.000	1.347	0.004
C3	0.000	-1.347	0.004
C4	0.000	0.666	-1.338
C5	0.000	-0.666	-1.338
H6	-0.885	1.977	0.133
H7	0.885	1.977	0.133
H8	0.885	-1.977	0.133
H9	-0.885	-1.977	0.133
H10	0.000	1.268	-2.243
H11	0.000	-1.268	-2.243

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.8334	1.8334	2.6701	2.6701	2.4361	2.4361	2.4361	2.4361	3.7142	3.7142
C2	1.8334		2.6937	1.5046	2.4192	1.0943	1.0943	3.4419	3.4419	2.2485	3.4476
C3	1.8334	2.6937		2.4192	1.5046	3.4419	3.4419	1.0943	1.0943	3.4476	2.2485
C4	2.6701	1.5046	2.4192		1.3322	2.1599	2.1599	3.1515	3.1515	1.0871	2.1353
C5	2.6701	2.4192	1.5046	1.3322		3.1515	3.1515	2.1599	2.1599	2.1353	1.0871
H6	2.4361	1.0943	3.4419	2.1599	3.1515		1.7708	4.3320	3.9535	2.6331	4.1180
H7	2.4361	1.0943	3.4419	2.1599	3.1515	1.7708		3.9535	4.3320	2.6331	4.1180
H8	2.4361	3.4419	1.0943	3.1515	2.1599	4.3320	3.9535		1.7708	4.1180	2.6331
H9	2.4361	3.4419	1.0943	3.1515	2.1599	3.9535	4.3320	1.7708		4.1180	2.6331
H10	3.7142	2.2485	3.4476	1.0871	2.1353	2.6331	2.6331	4.1180	4.1180		2.5356
H11	3.7142	3.4476	2.2485	2.1353	1.0871	4.1180	4.1180	2.6331	2.6331	2.5356

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	105.825	S1	C2	H6	110.048
S1	C2	H7	110.048	S1	C3	C5	105.825
S1	C3	H8	110.048	S1	C3	H9	110.048
C2	S1	C3	94.548	C2	C4	C5	116.901
C2	C4	H10	119.491	C3	C5	C4	116.901
C3	C5	H11	119.491	C4	C2	H6	111.450
C4	C2	H7	111.450	C4	C5	H11	123.608
C5	C3	H8	111.450	C5	C3	H9	111.450
C5	C4	H10	123.608	H6	C2	H7	108.023
H8	C3	H9	108.023

All results from a given calculation for C₄H₆S (Thiophene, 2,5-dihydro-)

using model chemistry: MP3=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 C4H6S (Thiophene, 2,5-dihydro-)

using model chemistry: MP3=FULL/6-31G*

States and conformations

All results from a given calculation for C₄H₆S (Thiophene, 2,5-dihydro-)