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	hartrees
Energy at 0K	-555.664867
Energy at 298.15K	-555.675474
HF Energy	-554.834394
Nuclear repulsion energy	234.262801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3203	3026	16.12
2	A₁	3110	2938	2.95
3	A₁	3106	2933	34.08
4	A₁	1533	1448	3.65
5	A₁	1515	1431	0.20
6	A₁	1429	1350	2.25
7	A₁	1330	1256	8.56
8	A₁	1117	1055	0.14
9	A₁	1020	964	2.94
10	A₁	728	687	0.00
11	A₁	336	317	0.79
12	A₁	139	131	0.35
13	A₂	3213	3035	0.00
14	A₂	3169	2993	0.00
15	A₂	1523	1439	0.00
16	A₂	1277	1207	0.00
17	A₂	1050	992	0.00
18	A₂	790	747	0.00
19	A₂	255	241	0.00
20	A₂	86	82	0.00
21	B₁	3213	3034	23.40
22	B₁	3163	2988	11.57
23	B₁	1523	1438	14.15
24	B₁	1284	1212	0.02
25	B₁	1073	1014	0.01
26	B₁	808	763	7.75
27	B₁	250	236	0.29
28	B₁	62	58	0.92
29	B₂	3204	3026	7.95
30	B₂	3110	2938	22.87
31	B₂	3108	2935	7.96
32	B₂	1532	1447	0.46
33	B₂	1508	1424	9.24
34	B₂	1427	1348	2.15
35	B₂	1294	1222	41.79
36	B₂	1070	1011	3.17
37	B₂	1015	959	4.96
38	B₂	734	693	0.61
39	B₂	337	319	0.70

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.555
C2	0.000	1.377	-0.622
C3	0.000	-1.377	-0.622
C4	0.000	2.699	0.138
C5	0.000	-2.699	0.138
H6	0.885	1.299	-1.258
H7	-0.885	1.299	-1.258
H8	0.885	-1.299	-1.258
H9	-0.885	-1.299	-1.258
H10	0.000	3.537	-0.560
H11	0.000	-3.537	-0.560
H12	-0.883	2.781	0.772
H13	0.883	2.781	0.772
H14	0.883	-2.781	0.772
H15	-0.883	-2.781	0.772

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
S1		1.8119	1.8119	2.7307	2.7307	2.3997	2.3997	2.3997	2.3997	3.7089	3.7089	2.9265	2.9265	2.9265	2.9265
C2	1.8119		2.7549	1.5246	4.1466	1.0925	1.0925	2.8903	2.8903	2.1609	4.9153	2.1672	2.1672	4.4746	4.4746
C3	1.8119	2.7549		4.1466	1.5246	2.8903	2.8903	1.0925	1.0925	4.9153	2.1609	4.4746	4.4746	2.1672	2.1672
C4	2.7307	1.5246	4.1466		5.3975	2.1659	2.1659	4.3265	4.3265	1.0912	6.2751	1.0905	1.0905	5.5870	5.5870
C5	2.7307	4.1466	1.5246	5.3975		4.3265	4.3265	2.1659	2.1659	6.2751	1.0912	5.5870	5.5870	1.0905	1.0905
H6	2.3997	1.0925	2.8903	2.1659	4.3265		1.7701	2.5989	3.1445	2.5059	4.9666	3.0735	2.5137	4.5581	4.8892
H7	2.3997	1.0925	2.8903	2.1659	4.3265	1.7701		3.1445	2.5989	2.5059	4.9666	2.5137	3.0735	4.8892	4.5581
H8	2.3997	2.8903	1.0925	4.3265	2.1659	2.5989	3.1445		1.7701	4.9666	2.5059	4.8892	4.5581	2.5137	3.0735
H9	2.3997	2.8903	1.0925	4.3265	2.1659	3.1445	2.5989	1.7701		4.9666	2.5059	4.5581	4.8892	3.0735	2.5137
H10	3.7089	2.1609	4.9153	1.0912	6.2751	2.5059	2.5059	4.9666	4.9666		7.0749	1.7681	1.7681	6.5179	6.5179
H11	3.7089	4.9153	2.1609	6.2751	1.0912	4.9666	4.9666	2.5059	2.5059	7.0749		6.5179	6.5179	1.7681	1.7681
H12	2.9265	2.1672	4.4746	1.0905	5.5870	3.0735	2.5137	4.8892	4.5581	1.7681	6.5179		1.7670	5.8368	5.5629
H13	2.9265	2.1672	4.4746	1.0905	5.5870	2.5137	3.0735	4.5581	4.8892	1.7681	6.5179	1.7670		5.5629	5.8368
H14	2.9265	4.4746	2.1672	5.5870	1.0905	4.5581	4.8892	2.5137	3.0735	6.5179	1.7681	5.8368	5.5629		1.7670
H15	2.9265	4.4746	2.1672	5.5870	1.0905	4.8892	4.5581	3.0735	2.5137	6.5179	1.7681	5.5629	5.8368	1.7670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	109.557	S1	C2	H6	108.893
S1	C2	H7	108.893	S1	C3	C5	109.557
S1	C3	H8	108.893	S1	C3	H9	108.893
C2	S1	C3	98.969	C2	C4	H10	110.302
C2	C4	H12	110.840	C2	C4	H13	110.840
C3	C5	H11	110.302	C3	C5	H14	110.840
C3	C5	H15	110.840	C4	C2	H6	110.623
C4	C2	H7	110.623	C5	C3	H8	110.623
C5	C3	H9	110.623	H6	C2	H7	108.206
H8	C3	H9	108.206	H10	C4	H12	108.276
H10	C4	H13	108.276	H11	C5	H14	108.276
H11	C5	H15	108.276	H12	C4	H13	108.216
H14	C5	H15	108.216

All results from a given calculation for C₂H₅SC₂H₅ (Diethyl sulfide)

using model chemistry: MP2/6-31G(2df,p)

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 C2H5SC2H5 (Diethyl sulfide)

using model chemistry: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₅SC₂H₅ (Diethyl sulfide)