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	hartrees
Energy at 0K	-553.087495
Energy at 298.15K	-553.094262
HF Energy	-552.454682
Nuclear repulsion energy	215.866163

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3256	3070	12.75
2	A₁	3114	2937	0.22
3	A₁	1721	1623	4.60
4	A₁	1556	1467	6.28
5	A₁	1347	1270	0.07
6	A₁	1173	1107	0.32
7	A₁	991	935	0.09
8	A₁	752	709	2.17
9	A₁	529	499	0.14
10	A₂	3163	2983	0.00
11	A₂	1187	1119	0.00
12	A₂	1013	955	0.00
13	A₂	939	886	0.00
14	A₂	365	344	0.00
15	B₁	3165	2984	15.90
16	B₁	1171	1104	10.68
17	B₁	955	900	0.11
18	B₁	691	651	46.54
19	B₁	66	62	4.82
20	B₂	3233	3049	1.81
21	B₂	3115	2938	49.10
22	B₂	1552	1463	0.10
23	B₂	1396	1317	3.18
24	B₂	1309	1235	7.54
25	B₂	1013	955	5.31
26	B₂	842	794	0.63
27	B₂	671	633	0.04

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.245
C2	0.000	1.347	0.004
C3	0.000	-1.347	0.004
C4	0.000	0.669	-1.335
C5	0.000	-0.669	-1.335
H6	-0.886	1.977	0.134
H7	0.886	1.977	0.134
H8	0.886	-1.977	0.134
H9	-0.886	-1.977	0.134
H10	0.000	1.271	-2.241
H11	0.000	-1.271	-2.241

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.8315	1.8315	2.6655	2.6655	2.4350	2.4350	2.4350	2.4350	3.7107	3.7107
C2	1.8315		2.6948	1.5017	2.4206	1.0950	1.0950	3.4432	3.4432	2.2470	3.4494
C3	1.8315	2.6948		2.4206	1.5017	3.4432	3.4432	1.0950	1.0950	3.4494	2.2470
C4	2.6655	1.5017	2.4206		1.3375	2.1579	2.1579	3.1537	3.1537	1.0879	2.1408
C5	2.6655	2.4206	1.5017	1.3375		3.1537	3.1537	2.1579	2.1579	2.1408	1.0879
H6	2.4350	1.0950	3.4432	2.1579	3.1537		1.7725	4.3336	3.9545	2.6319	4.1205
H7	2.4350	1.0950	3.4432	2.1579	3.1537	1.7725		3.9545	4.3336	2.6319	4.1205
H8	2.4350	3.4432	1.0950	3.1537	2.1579	4.3336	3.9545		1.7725	4.1205	2.6319
H9	2.4350	3.4432	1.0950	3.1537	2.1579	3.9545	4.3336	1.7725		4.1205	2.6319
H10	3.7107	2.2470	3.4494	1.0879	2.1408	2.6319	2.6319	4.1205	4.1205		2.5417
H11	3.7107	3.4494	2.2470	2.1408	1.0879	4.1205	4.1205	2.6319	2.6319	2.5417

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	105.772	S1	C2	H6	110.055
S1	C2	H7	110.055	S1	C3	C5	105.772
S1	C3	H8	110.055	S1	C3	H9	110.055
C2	S1	C3	94.725	C2	C4	C5	116.865
C2	C4	H10	119.531	C3	C5	C4	116.865
C3	C5	H11	119.531	C4	C2	H6	111.446
C4	C2	H7	111.446	C4	C5	H11	123.603
C5	C3	H8	111.446	C5	C3	H9	111.446
C5	C4	H10	123.603	H6	C2	H7	108.068
H8	C3	H9	108.068

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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