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	hartrees
Energy at 0K	-553.135564
Energy at 298.15K	-553.142342
HF Energy	-552.464919
Nuclear repulsion energy	216.122189

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3289	3080	13.88
2	A₁	3135	2936	0.15
3	A₁	1723	1613	5.48
4	A₁	1550	1452	5.67
5	A₁	1344	1259	0.49
6	A₁	1168	1094	0.44
7	A₁	992	929	0.03
8	A₁	752	704	1.86
9	A₁	530	496	0.17
10	A₂	3187	2985	0.00
11	A₂	1184	1109	0.00
12	A₂	1007	943	0.00
13	A₂	947	887	0.00
14	A₂	364	340	0.00
15	B₁	3188	2986	18.85
16	B₁	1168	1094	10.60
17	B₁	949	889	0.28
18	B₁	690	646	40.79
19	B₁	66	61	4.46
20	B₂	3266	3058	2.01
21	B₂	3136	2937	55.43
22	B₂	1546	1448	0.60
23	B₂	1398	1310	2.41
24	B₂	1304	1221	7.59
25	B₂	1011	947	4.71
26	B₂	841	788	0.67
27	B₂	671	628	0.03

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.246
C2	0.000	1.343	0.004
C3	0.000	-1.343	0.004
C4	0.000	0.668	-1.335
C5	0.000	-0.668	-1.335
H6	-0.882	1.972	0.133
H7	0.882	1.972	0.133
H8	0.882	-1.972	0.133
H9	-0.882	-1.972	0.133
H10	0.000	1.264	-2.239
H11	0.000	-1.264	-2.239

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.8292	1.8292	2.6661	2.6661	2.4300	2.4300	2.4300	2.4300	3.7070	3.7070
C2	1.8292		2.6859	1.4993	2.4163	1.0910	1.0910	3.4326	3.4326	2.2443	3.4389
C3	1.8292	2.6859		2.4163	1.4993	3.4326	3.4326	1.0910	1.0910	3.4389	2.2443
C4	2.6661	1.4993	2.4163		1.3369	2.1523	2.1523	3.1472	3.1472	1.0824	2.1332
C5	2.6661	2.4163	1.4993	1.3369		3.1472	3.1472	2.1523	2.1523	2.1332	1.0824
H6	2.4300	1.0910	3.4326	2.1523	3.1472		1.7640	4.3204	3.9439	2.6279	4.1079
H7	2.4300	1.0910	3.4326	2.1523	3.1472	1.7640		3.9439	4.3204	2.6279	4.1079
H8	2.4300	3.4326	1.0910	3.1472	2.1523	4.3204	3.9439		1.7640	4.1079	2.6279
H9	2.4300	3.4326	1.0910	3.1472	2.1523	3.9439	4.3204	1.7640		4.1079	2.6279
H10	3.7070	2.2443	3.4389	1.0824	2.1332	2.6279	2.6279	4.1079	4.1079		2.5276
H11	3.7070	3.4389	2.2443	2.1332	1.0824	4.1079	4.1079	2.6279	2.6279	2.5276

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	106.027	S1	C2	H6	110.058
S1	C2	H7	110.058	S1	C3	C5	106.027
S1	C3	H8	110.058	S1	C3	H9	110.058
C2	S1	C3	94.473	C2	C4	C5	116.737
C2	C4	H10	119.892	C3	C5	C4	116.737
C3	C5	H11	119.892	C4	C2	H6	111.410
C4	C2	H7	111.410	C4	C5	H11	123.371
C5	C3	H8	111.410	C5	C3	H9	111.410
C5	C4	H10	123.371	H6	C2	H7	107.888
H8	C3	H9	107.888

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-)