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	hartrees
Energy at 0K	-552.362799
Energy at 298.15K	-552.369932
Nuclear repulsion energy	213.625928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3389	3060	19.87
2	A₁	3251	2935	0.55
3	A₁	1868	1687	5.64
4	A₁	1644	1484	8.86
5	A₁	1425	1286	0.26
6	A₁	1278	1154	0.84
7	A₁	1023	923	0.78
8	A₁	736	665	6.77
9	A₁	550	496	0.09
10	A₂	3302	2981	0.00
11	A₂	1283	1158	0.00
12	A₂	1132	1022	0.00
13	A₂	1040	939	0.00
14	A₂	433	391	0.00
15	B₁	3304	2983	22.10
16	B₁	1265	1143	15.73
17	B₁	1003	905	3.00
18	B₁	785	708	63.56
19	B₁	134	121	6.53
20	B₂	3360	3034	3.79
21	B₂	3250	2935	66.44
22	B₂	1641	1482	0.26
23	B₂	1516	1369	5.37
24	B₂	1396	1260	8.91
25	B₂	1061	958	9.82
26	B₂	906	818	2.25
27	B₂	660	596	1.52

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.279
C2	0.000	1.370	-0.023
C3	0.000	-1.370	-0.023
C4	0.000	0.661	-1.347
C5	0.000	-0.661	-1.347
H6	-0.879	1.982	0.117
H7	0.879	1.982	0.117
H8	0.879	-1.982	0.117
H9	-0.879	-1.982	0.117
H10	0.000	1.245	-2.248
H11	0.000	-1.245	-2.248

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.8905	1.8905	2.7078	2.7078	2.4602	2.4602	2.4602	2.4602	3.7400	3.7400
C2	1.8905		2.7408	1.5019	2.4243	1.0800	1.0800	3.4688	3.4688	2.2281	3.4331
C3	1.8905	2.7408		2.4243	1.5019	3.4688	3.4688	1.0800	1.0800	3.4331	2.2281
C4	2.7078	1.5019	2.4243		1.3214	2.1590	2.1590	3.1464	3.1464	1.0736	2.1075
C5	2.7078	2.4243	1.5019	1.3214		3.1464	3.1464	2.1590	2.1590	2.1075	1.0736
H6	2.4602	1.0800	3.4688	2.1590	3.1464		1.7576	4.3367	3.9646	2.6283	4.0959
H7	2.4602	1.0800	3.4688	2.1590	3.1464	1.7576		3.9646	4.3367	2.6283	4.0959
H8	2.4602	3.4688	1.0800	3.1464	2.1590	4.3367	3.9646		1.7576	4.0959	2.6283
H9	2.4602	3.4688	1.0800	3.1464	2.1590	3.9646	4.3367	1.7576		4.0959	2.6283
H10	3.7400	2.2281	3.4331	1.0736	2.1075	2.6283	2.6283	4.0959	4.0959		2.4891
H11	3.7400	3.4331	2.2281	2.1075	1.0736	4.0959	4.0959	2.6283	2.6283	2.4891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	105.342	S1	C2	H6	108.745
S1	C2	H7	108.745	S1	C3	C5	105.342
S1	C3	H8	108.745	S1	C3	H9	108.745
C2	S1	C3	92.916	C2	C4	C5	118.200
C2	C4	H10	118.852	C3	C5	C4	118.200
C3	C5	H11	118.852	C4	C2	H6	112.461
C4	C2	H7	112.461	C4	C5	H11	122.947
C5	C3	H8	112.461	C5	C3	H9	112.461
C5	C4	H10	122.947	H6	C2	H7	108.922
H8	C3	H9	108.922

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	0.232	-0.011
2	C	-0.594	-0.433
3	C	-0.594	0.133
4	C	-0.137	-0.248
5	C	-0.137	-0.011
6	H	0.208	0.353
7	H	0.208	0.133
8	H	0.208	-0.248
9	H	0.208	-0.011
10	H	0.200	-0.011
11	H	0.200	0.353

<r²>	131.512
(<r²>)^1/2	11.468

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-)