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	hartrees
Energy at 0K	-552.371261
Energy at 298.15K	-552.378360
Nuclear repulsion energy	213.526541

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3408	3069	27.51
2	A₁	3266	2941	0.05
3	A₁	1840	1657	8.95
4	A₁	1643	1479	6.23
5	A₁	1427	1285	0.02
6	A₁	1266	1140	0.08
7	A₁	1018	917	2.14
8	A₁	733	660	6.34
9	A₁	549	494	0.09
10	A₂	3324	2993	0.00
11	A₂	1271	1145	0.00
12	A₂	1112	1002	0.00
13	A₂	1044	940	0.00
14	A₂	424	382	0.00
15	B₁	3327	2995	46.19
16	B₁	1256	1131	17.74
17	B₁	1010	910	3.68
18	B₁	776	699	75.95
19	B₁	134	121	6.31
20	B₂	3378	3041	5.95
21	B₂	3264	2939	100.42
22	B₂	1638	1475	1.74
23	B₂	1502	1352	8.13
24	B₂	1395	1257	13.58
25	B₂	1060	955	11.49
26	B₂	895	806	2.76
27	B₂	653	588	1.25

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.275
C2	0.000	1.371	-0.015
C3	0.000	-1.371	-0.015
C4	0.000	0.665	-1.350
C5	0.000	-0.665	-1.350
H6	-0.879	1.983	0.121
H7	0.879	1.983	0.121
H8	0.879	-1.983	0.121
H9	-0.879	-1.983	0.121
H10	0.000	1.248	-2.251
H11	0.000	-1.248	-2.251

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.8823	1.8823	2.7081	2.7081	2.4568	2.4568	2.4568	2.4568	3.7407	3.7407
C2	1.8823		2.7416	1.5103	2.4347	1.0794	1.0794	3.4694	3.4694	2.2397	3.4441
C3	1.8823	2.7416		2.4347	1.5103	3.4694	3.4694	1.0794	1.0794	3.4441	2.2397
C4	2.7081	1.5103	2.4347		1.3302	2.1615	2.1615	3.1538	3.1538	1.0734	2.1151
C5	2.7081	2.4347	1.5103	1.3302		3.1538	3.1538	2.1615	2.1615	2.1151	1.0734
H6	2.4568	1.0794	3.4694	2.1615	3.1538		1.7577	4.3374	3.9653	2.6340	4.1035
H7	2.4568	1.0794	3.4694	2.1615	3.1538	1.7577		3.9653	4.3374	2.6340	4.1035
H8	2.4568	3.4694	1.0794	3.1538	2.1615	4.3374	3.9653		1.7577	4.1035	2.6340
H9	2.4568	3.4694	1.0794	3.1538	2.1615	3.9653	4.3374	1.7577		4.1035	2.6340
H10	3.7407	2.2397	3.4441	1.0734	2.1151	2.6340	2.6340	4.1035	4.1035		2.4969
H11	3.7407	3.4441	2.2397	2.1151	1.0734	4.1035	4.1035	2.6340	2.6340	2.4969

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	105.401	S1	C2	H6	109.068
S1	C2	H7	109.068	S1	C3	C5	105.401
S1	C3	H8	109.068	S1	C3	H9	109.068
C2	S1	C3	93.483	C2	C4	C5	117.857
C2	C4	H10	119.225	C3	C5	C4	117.857
C3	C5	H11	119.225	C4	C2	H6	112.083
C4	C2	H7	112.083	C4	C5	H11	122.918
C5	C3	H8	112.083	C5	C3	H9	112.083
C5	C4	H10	122.918	H6	C2	H7	109.016
H8	C3	H9	109.016

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

using model chemistry: HF/SDD

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	0.095
2	C	-0.595
3	C	-0.595
4	C	-0.127
5	C	-0.127
6	H	0.229
7	H	0.229
8	H	0.229
9	H	0.229
10	H	0.217
11	H	0.217

<r²>	131.707
(<r²>)^1/2	11.476

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

using model chemistry: HF/SDD

States and conformations

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