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	hartrees
Energy at 0K	-555.784396
Energy at 298.15K	-555.794956
HF Energy	-554.897292
Nuclear repulsion energy	234.885386

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3170	3016	22.04
2	A₁	3082	2932	3.11
3	A₁	3075	2926	48.41
4	A₁	1517	1443	4.25
5	A₁	1498	1426	0.02
6	A₁	1416	1347	3.14
7	A₁	1314	1251	5.22
8	A₁	1110	1057	0.36
9	A₁	1013	964	2.79
10	A₁	722	687	0.01
11	A₁	336	320	0.54
12	A₁	137	131	0.19
13	A₂	3176	3022	0.00
14	A₂	3133	2981	0.00
15	A₂	1507	1434	0.00
16	A₂	1270	1208	0.00
17	A₂	1039	989	0.00
18	A₂	785	747	0.00
19	A₂	248	236	0.00
20	A₂	84	80	0.00
21	B₁	3175	3021	34.09
22	B₁	3127	2975	15.60
23	B₁	1507	1434	17.69
24	B₁	1274	1212	0.02
25	B₁	1061	1009	0.06
26	B₁	803	764	5.47
27	B₁	241	229	0.27
28	B₁	61	58	0.79
29	B₂	3170	3016	10.63
30	B₂	3082	2932	35.65
31	B₂	3078	2928	6.82
32	B₂	1516	1443	0.62
33	B₂	1491	1419	7.19
34	B₂	1414	1346	3.04
35	B₂	1281	1219	37.09
36	B₂	1063	1011	1.76
37	B₂	1009	960	4.35
38	B₂	729	694	0.48
39	B₂	337	320	0.82

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.446
C2	0.000	1.392	-0.627
C3	0.000	-1.392	-0.627
C4	0.000	2.656	0.230
C5	0.000	-2.656	0.230
H6	0.865	1.376	-1.239
H7	-0.865	1.376	-1.239
H8	0.865	-1.376	-1.239
H9	-0.865	-1.376	-1.239
H10	0.000	3.510	-0.402
H11	0.000	-3.510	-0.402
H12	-0.867	2.671	0.850
H13	0.867	2.671	0.850
H14	0.867	-2.671	0.850
H15	-0.867	-2.671	0.850

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
S1		1.7572	1.7572	2.6652	2.6652	2.3409	2.3409	2.3409	2.3409	3.6110	3.6110	2.8372	2.8372	2.8372	2.8372
C2	1.7572		2.7835	1.5276	4.1379	1.0597	1.0597	2.9637	2.9637	2.1303	4.9071	2.1377	2.1377	4.4091	4.4091
C3	1.7572	2.7835		4.1379	1.5276	2.9637	2.9637	1.0597	1.0597	4.9071	2.1303	4.4091	4.4091	2.1377	2.1377
C4	2.6652	1.5276	4.1379		5.3129	2.1318	2.1318	4.3780	4.3780	1.0619	6.1989	1.0660	1.0660	5.4332	5.4332
C5	2.6652	4.1379	1.5276	5.3129		4.3780	4.3780	2.1318	2.1318	6.1989	1.0619	5.4332	5.4332	1.0660	1.0660
H6	2.3409	1.0597	2.9637	2.1318	4.3780		1.7300	2.7522	3.2508	2.4501	5.0324	3.0067	2.4578	4.5545	4.8727
H7	2.3409	1.0597	2.9637	2.1318	4.3780	1.7300		3.2508	2.7522	2.4501	5.0324	2.4578	3.0067	4.8727	4.5545
H8	2.3409	2.9637	1.0597	4.3780	2.1318	2.7522	3.2508		1.7300	5.0324	2.4501	4.8727	4.5545	2.4578	3.0067
H9	2.3409	2.9637	1.0597	4.3780	2.1318	3.2508	2.7522	1.7300		5.0324	2.4501	4.5545	4.8727	3.0067	2.4578
H10	3.6110	2.1303	4.9071	1.0619	6.1989	2.4501	2.4501	5.0324	5.0324		7.0203	1.7385	1.7385	6.3661	6.3661
H11	3.6110	4.9071	2.1303	6.1989	1.0619	5.0324	5.0324	2.4501	2.4501	7.0203		6.3661	6.3661	1.7385	1.7385
H12	2.8372	2.1377	4.4091	1.0660	5.4332	3.0067	2.4578	4.8727	4.5545	1.7385	6.3661		1.7338	5.6166	5.3422
H13	2.8372	2.1377	4.4091	1.0660	5.4332	2.4578	3.0067	4.5545	4.8727	1.7385	6.3661	1.7338		5.3422	5.6166
H14	2.8372	4.4091	2.1377	5.4332	1.0660	4.5545	4.8727	2.4578	3.0067	6.3661	1.7385	5.6166	5.3422		1.7338
H15	2.8372	4.4091	2.1377	5.4332	1.0660	4.8727	4.5545	3.0067	2.4578	6.3661	1.7385	5.3422	5.6166	1.7338

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	108.262	S1	C2	H6	109.928
S1	C2	H7	109.928	S1	C3	C5	108.262
S1	C3	H8	109.928	S1	C3	H9	109.928
C2	S1	C3	104.754	C2	C4	H10	109.389
C2	C4	H12	109.735	C2	C4	H13	109.735
C3	C5	H11	109.389	C3	C5	H14	109.735
C3	C5	H15	109.735	C4	C2	H6	109.641
C4	C2	H7	109.641	C5	C3	H8	109.641
C5	C3	H9	109.641	H6	C2	H7	109.425
H8	C3	H9	109.425	H10	C4	H12	109.570
H10	C4	H13	109.570	H11	C5	H14	109.570
H11	C5	H15	109.570	H12	C4	H13	108.826
H14	C5	H15	108.826

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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