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	hartrees
Energy at 0K	-552.773944
Energy at 298.15K	-552.780730
HF Energy	-552.359548
Nuclear repulsion energy	210.454742

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3225	3085	19.19
2	A₁	3104	2970	0.02
3	A₁	1683	1611	3.69
4	A₁	1559	1492	7.26
5	A₁	1326	1269	0.19
6	A₁	1196	1145	0.48
7	A₁	965	923	0.34
8	A₁	679	649	2.63
9	A₁	504	482	0.00
10	A₂	3159	3023	0.00
11	A₂	1174	1123	0.00
12	A₂	1001	957	0.00
13	A₂	953	911	0.00
14	A₂	384	367	0.00
15	B₁	3161	3025	21.77
16	B₁	1167	1117	11.45
17	B₁	940	899	0.03
18	B₁	702	671	53.71
19	B₁	108	103	5.38
20	B₂	3196	3058	4.01
21	B₂	3104	2970	48.15
22	B₂	1559	1491	0.01
23	B₂	1409	1348	5.85
24	B₂	1298	1242	6.69
25	B₂	1004	961	5.37
26	B₂	827	792	1.03
27	B₂	605	579	0.45

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.299
C2	0.000	1.390	-0.027
C3	0.000	-1.390	-0.027
C4	0.000	0.676	-1.364
C5	0.000	-0.676	-1.364
H6	-0.894	2.008	0.116
H7	0.894	2.008	0.116
H8	0.894	-2.008	0.116
H9	-0.894	-2.008	0.116
H10	0.000	1.270	-2.278
H11	0.000	-1.270	-2.278

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.9217	1.9217	2.7476	2.7476	2.4968	2.4968	2.4968	2.4968	3.7962	3.7962
C2	1.9217		2.7808	1.5156	2.4609	1.0965	1.0965	3.5174	3.5174	2.2542	3.4847
C3	1.9217	2.7808		2.4609	1.5156	3.5174	3.5174	1.0965	1.0965	3.4847	2.2542
C4	2.7476	1.5156	2.4609		1.3517	2.1829	2.1829	3.1930	3.1930	1.0903	2.1498
C5	2.7476	2.4609	1.5156	1.3517		3.1930	3.1930	2.1829	2.1829	2.1498	1.0903
H6	2.4968	1.0965	3.5174	2.1829	3.1930		1.7886	4.3971	4.0169	2.6603	4.1567
H7	2.4968	1.0965	3.5174	2.1829	3.1930	1.7886		4.0169	4.3971	2.6603	4.1567
H8	2.4968	3.5174	1.0965	3.1930	2.1829	4.3971	4.0169		1.7886	4.1567	2.6603
H9	2.4968	3.5174	1.0965	3.1930	2.1829	4.0169	4.3971	1.7886		4.1567	2.6603
H10	3.7962	2.2542	3.4847	1.0903	2.1498	2.6603	2.6603	4.1567	4.1567		2.5395
H11	3.7962	3.4847	2.2542	2.1498	1.0903	4.1567	4.1567	2.6603	2.6603	2.5395

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	105.528	S1	C2	H6	108.524
S1	C2	H7	108.524	S1	C3	C5	105.528
S1	C3	H8	108.524	S1	C3	H9	108.524
C2	S1	C3	92.691	C2	C4	C5	118.127
C2	C4	H10	118.866	C3	C5	C4	118.127
C3	C5	H11	118.866	C4	C2	H6	112.387
C4	C2	H7	112.387	C4	C5	H11	123.007
C5	C3	H8	112.387	C5	C3	H9	112.387
C5	C4	H10	123.007	H6	C2	H7	109.297
H8	C3	H9	109.297

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

using model chemistry: MP2/6-31G

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

using model chemistry: MP2/6-31G

States and conformations

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