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	hartrees
Energy at 0K	-554.098836
Energy at 298.15K	-554.105611
Nuclear repulsion energy	215.583394

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3219	3080	19.05
2	A₁	3058	2925	0.18
3	A₁	1735	1660	6.64
4	A₁	1512	1447	7.20
5	A₁	1311	1254	0.35
6	A₁	1151	1101	0.41
7	A₁	976	933	0.08
8	A₁	727	695	2.84
9	A₁	519	497	0.02
10	A₂	3094	2960	0.00
11	A₂	1160	1110	0.00
12	A₂	979	937	0.00
13	A₂	955	914	0.00
14	A₂	377	361	0.00
15	B₁	3096	2962	22.35
16	B₁	1145	1096	10.09
17	B₁	917	878	0.04
18	B₁	685	655	46.82
19	B₁	102	98	4.96
20	B₂	3196	3057	4.17
21	B₂	3058	2926	70.60
22	B₂	1508	1443	0.05
23	B₂	1376	1316	1.95
24	B₂	1271	1216	7.25
25	B₂	989	946	7.97
26	B₂	828	792	0.50
27	B₂	651	623	0.08

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.250
C2	0.000	1.348	-0.001
C3	0.000	-1.348	-0.001
C4	0.000	0.666	-1.336
C5	0.000	-0.666	-1.336
H6	-0.885	1.983	0.133
H7	0.885	1.983	0.133
H8	0.885	-1.983	0.133
H9	-0.885	-1.983	0.133
H10	0.000	1.264	-2.244
H11	0.000	-1.264	-2.244

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.8385	1.8385	2.6701	2.6701	2.4417	2.4417	2.4417	2.4417	3.7159	3.7159
C2	1.8385		2.6952	1.4993	2.4158	1.0973	1.0973	3.4484	3.4484	2.2452	3.4432
C3	1.8385	2.6952		2.4158	1.4993	3.4484	3.4484	1.0973	1.0973	3.4432	2.2452
C4	2.6701	1.4993	2.4158		1.3314	2.1620	2.1620	3.1549	3.1549	1.0878	2.1329
C5	2.6701	2.4158	1.4993	1.3314		3.1549	3.1549	2.1620	2.1620	2.1329	1.0878
H6	2.4417	1.0973	3.4484	2.1620	3.1549		1.7697	4.3423	3.9654	2.6362	4.1201
H7	2.4417	1.0973	3.4484	2.1620	3.1549	1.7697		3.9654	4.3423	2.6362	4.1201
H8	2.4417	3.4484	1.0973	3.1549	2.1620	4.3423	3.9654		1.7697	4.1201	2.6362
H9	2.4417	3.4484	1.0973	3.1549	2.1620	3.9654	4.3423	1.7697		4.1201	2.6362
H10	3.7159	2.2452	3.4432	1.0878	2.1329	2.6362	2.6362	4.1201	4.1201		2.5282
H11	3.7159	3.4432	2.2452	2.1329	1.0878	4.1201	4.1201	2.6362	2.6362	2.5282

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	105.806	S1	C2	H6	109.973
S1	C2	H7	109.973	S1	C3	C5	105.806
S1	C3	H8	109.973	S1	C3	H9	109.973
C2	S1	C3	94.280	C2	C4	C5	117.054
C2	C4	H10	119.571	C3	C5	C4	117.054
C3	C5	H11	119.571	C4	C2	H6	111.806
C4	C2	H7	111.806	C4	C5	H11	123.375
C5	C3	H8	111.806	C5	C3	H9	111.806
C5	C4	H10	123.375	H6	C2	H7	107.490
H8	C3	H9	107.490

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

using model chemistry: B3PW91/6-31G*

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	ESP
1	S	0.104	-0.312
2	C	-0.517	0.101
3	C	-0.517	0.101
4	C	-0.121	-0.219
5	C	-0.121	-0.219
6	H	0.207	0.064
7	H	0.207	0.065
8	H	0.207	0.065
9	H	0.207	0.064
10	H	0.173	0.145
11	H	0.173	0.145

	x	y	z	Total
	0.000	0.000	-2.019	2.019
CHELPG
AIM
ESP	0.014	0.000	-2.018	2.018

<r²>	128.608
(<r²>)^1/2	11.341

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

using model chemistry: B3PW91/6-31G*

States and conformations

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