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	hartrees
Energy at 0K	-552.465706
Energy at 298.15K	-552.472800
Nuclear repulsion energy	216.639817

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3368	3040	22.11
2	A₁	3213	2900	0.25
3	A₁	1874	1692	6.65
4	A₁	1627	1469	5.35
5	A₁	1430	1290	0.88
6	A₁	1243	1122	0.82
7	A₁	1018	919	0.22
8	A₁	781	705	4.15
9	A₁	560	505	0.02
10	A₂	3253	2936	0.00
11	A₂	1265	1142	0.00
12	A₂	1097	990	0.00
13	A₂	1039	938	0.00
14	A₂	417	376	0.00
15	B₁	3255	2938	33.17
16	B₁	1248	1126	12.78
17	B₁	1007	909	2.87
18	B₁	757	683	43.79
19	B₁	110	99	4.98
20	B₂	3342	3017	5.49
21	B₂	3213	2900	89.22
22	B₂	1623	1465	0.76
23	B₂	1492	1347	2.50
24	B₂	1391	1255	7.97
25	B₂	1042	941	8.27
26	B₂	897	810	1.75
27	B₂	704	636	0.32

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.244
C2	0.000	1.344	0.004
C3	0.000	-1.344	0.004
C4	0.000	0.658	-1.334
C5	0.000	-0.658	-1.334
H6	-0.877	1.968	0.134
H7	0.877	1.968	0.134
H8	0.877	-1.968	0.134
H9	-0.877	-1.968	0.134
H10	0.000	1.249	-2.234
H11	0.000	-1.249	-2.234

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.8290	1.8290	2.6610	2.6610	2.4240	2.4240	2.4240	2.4240	3.6954	3.6954
C2	1.8290		2.6880	1.5037	2.4078	1.0841	1.0841	3.4289	3.4289	2.2397	3.4247
C3	1.8290	2.6880		2.4078	1.5037	3.4289	3.4289	1.0841	1.0841	3.4247	2.2397
C4	2.6610	1.5037	2.4078		1.3156	2.1544	2.1544	3.1338	3.1338	1.0763	2.1080
C5	2.6610	2.4078	1.5037	1.3156		3.1338	3.1338	2.1544	2.1544	2.1080	1.0763
H6	2.4240	1.0841	3.4289	2.1544	3.1338		1.7534	4.3095	3.9366	2.6255	4.0894
H7	2.4240	1.0841	3.4289	2.1544	3.1338	1.7534		3.9366	4.3095	2.6255	4.0894
H8	2.4240	3.4289	1.0841	3.1338	2.1544	4.3095	3.9366		1.7534	4.0894	2.6255
H9	2.4240	3.4289	1.0841	3.1338	2.1544	3.9366	4.3095	1.7534		4.0894	2.6255
H10	3.6954	2.2397	3.4247	1.0763	2.1080	2.6255	2.6255	4.0894	4.0894		2.4971
H11	3.6954	3.4247	2.2397	2.1080	1.0763	4.0894	4.0894	2.6255	2.6255	2.4971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	105.553	S1	C2	H6	109.983
S1	C2	H7	109.983	S1	C3	C5	105.553
S1	C3	H8	109.983	S1	C3	H9	109.983
C2	S1	C3	94.589	C2	C4	C5	117.153
C2	C4	H10	119.556	C3	C5	C4	117.153
C3	C5	H11	119.556	C4	C2	H6	111.694
C4	C2	H7	111.694	C4	C5	H11	123.292
C5	C3	H8	111.694	C5	C3	H9	111.694
C5	C4	H10	123.292	H6	C2	H7	107.934
H8	C3	H9	107.934

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

using model chemistry: HF/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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Number	Element	Mulliken	CHELPG
1	S	0.114	-0.013
2	C	-0.395	-0.403
3	C	-0.395	0.134
4	C	-0.121	-0.251
5	C	-0.121	-0.013
6	H	0.155	0.346
7	H	0.155	0.134
8	H	0.155	-0.252
9	H	0.155	-0.014
10	H	0.149	-0.013
11	H	0.149	0.346

	x	y	z
x	8.066	-0.000	0.000
y	-0.000	9.838	-0.000
z	0.000	-0.000	5.118

<r²>	128.147
(<r²>)^1/2	11.320

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

using model chemistry: HF/6-31G**

States and conformations

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