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	hartrees
Energy at 0K	-35.355210
Energy at 298.15K	-35.362216
Nuclear repulsion energy	86.197888

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3394	3048	34.89
2	A₁	3254	2922	0.02
3	A₁	1866	1675	12.01
4	A₁	1632	1465	3.96
5	A₁	1432	1286	5.40
6	A₁	1220	1096	0.45
7	A₁	1021	916	0.30
8	A₁	783	703	4.45
9	A₁	551	494	0.03
10	A₂	3300	2963	0.00
11	A₂	1249	1121	0.00
12	A₂	1071	962	0.00
13	A₂	1025	920	0.00
14	A₂	386	347	0.00
15	B₁	3302	2965	70.63
16	B₁	1238	1111	19.56
17	B₁	994	893	4.65
18	B₁	750	674	60.16
19	B₁	101	90	5.34
20	B₂	3361	3018	11.86
21	B₂	3254	2922	129.56
22	B₂	1626	1460	0.72
23	B₂	1476	1326	1.14
24	B₂	1385	1243	12.16
25	B₂	1043	936	8.13
26	B₂	885	794	2.63
27	B₂	704	632	0.09

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.249
C2	0.000	1.356	0.009
C3	0.000	-1.356	0.009
C4	0.000	0.671	-1.346
C5	0.000	-0.671	-1.346
H6	-0.882	1.980	0.140
H7	0.882	1.980	0.140
H8	0.882	-1.980	0.140
H9	-0.882	-1.980	0.140
H10	0.000	1.264	-2.250
H11	0.000	-1.264	-2.250

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.8371	1.8371	2.6802	2.6802	2.4346	2.4346	2.4346	2.4346	3.7204	3.7204
C2	1.8371		2.7110	1.5180	2.4376	1.0887	1.0887	3.4527	3.4527	2.2611	3.4589
C3	1.8371	2.7110		2.4376	1.5180	3.4527	3.4527	1.0887	1.0887	3.4589	2.2611
C4	2.6802	1.5180	2.4376		1.3419	2.1682	2.1682	3.1647	3.1647	1.0813	2.1356
C5	2.6802	2.4376	1.5180	1.3419		3.1647	3.1647	2.1682	2.1682	2.1356	1.0813
H6	2.4346	1.0887	3.4527	2.1682	3.1647		1.7641	4.3352	3.9601	2.6471	4.1250
H7	2.4346	1.0887	3.4527	2.1682	3.1647	1.7641		3.9601	4.3352	2.6471	4.1250
H8	2.4346	3.4527	1.0887	3.1647	2.1682	4.3352	3.9601		1.7641	4.1250	2.6471
H9	2.4346	3.4527	1.0887	3.1647	2.1682	3.9601	4.3352	1.7641		4.1250	2.6471
H10	3.7204	2.2611	3.4589	1.0813	2.1356	2.6471	2.6471	4.1250	4.1250		2.5274
H11	3.7204	3.4589	2.2611	2.1356	1.0813	4.1250	4.1250	2.6471	2.6471	2.5274

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	105.646	S1	C2	H6	109.978
S1	C2	H7	109.978	S1	C3	C5	105.646
S1	C3	H8	109.978	S1	C3	H9	109.978
C2	S1	C3	95.095	C2	C4	C5	116.806
C2	C4	H10	119.952	C3	C5	C4	116.806
C3	C5	H11	119.952	C4	C2	H6	111.503
C4	C2	H7	111.503	C4	C5	H11	123.242
C5	C3	H8	111.503	C5	C3	H9	111.503
C5	C4	H10	123.242	H6	C2	H7	108.223
H8	C3	H9	108.223

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

using model chemistry: HF/CEP-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
1	S	-0.115
2	C	-0.206
3	C	-0.206
4	C	-0.263
5	C	-0.263
6	H	0.135
7	H	0.135
8	H	0.135
9	H	0.135
10	H	0.258
11	H	0.258

<r²>	97.257
(<r²>)^1/2	9.862

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

using model chemistry: HF/CEP-31G*

States and conformations

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