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	hartrees
Energy at 0K	-555.629817
Energy at 298.15K	-555.640334
HF Energy	-554.879954
Nuclear repulsion energy	233.709851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3177	3011	31.17
2	A₁	3091	2930	42.61
3	A₁	3090	2929	16.07
4	A₁	1523	1443	3.76
5	A₁	1511	1433	0.14
6	A₁	1443	1367	1.92
7	A₁	1353	1283	10.52
8	A₁	1123	1065	0.70
9	A₁	1022	968	2.15
10	A₁	722	685	0.17
11	A₁	337	319	0.54
12	A₁	142	135	0.12
13	A₂	3187	3021	0.00
14	A₂	3151	2987	0.00
15	A₂	1506	1427	0.00
16	A₂	1280	1214	0.00
17	A₂	1052	997	0.00
18	A₂	800	758	0.00
19	A₂	258	244	0.00
20	A₂	19	18	0.00
21	B₁	3186	3020	48.43
22	B₁	3146	2982	17.98
23	B₁	1507	1428	16.92
24	B₁	1286	1219	0.00
25	B₁	1080	1024	0.20
26	B₁	818	776	4.24
27	B₁	259	246	0.29
28	B₁	57	54	0.73
29	B₂	3177	3012	11.37
30	B₂	3093	2932	1.12
31	B₂	3089	2928	46.60
32	B₂	1521	1442	0.73
33	B₂	1500	1422	6.37
34	B₂	1440	1365	4.28
35	B₂	1322	1253	46.18
36	B₂	1075	1019	1.53
37	B₂	1018	965	3.52
38	B₂	723	685	0.99
39	B₂	342	324	1.02

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.571
C2	0.000	1.380	-0.619
C3	0.000	-1.380	-0.619
C4	0.000	2.707	0.122
C5	0.000	-2.707	0.122
H6	0.885	1.301	-1.252
H7	-0.885	1.301	-1.252
H8	0.885	-1.301	-1.252
H9	-0.885	-1.301	-1.252
H10	0.000	3.534	-0.589
H11	0.000	-3.534	-0.589
H12	-0.883	2.802	0.754
H13	0.883	2.802	0.754
H14	0.883	-2.802	0.754
H15	-0.883	-2.802	0.754

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
S1		1.8225	1.8225	2.7443	2.7443	2.4079	2.4079	2.4079	2.4079	3.7196	3.7196	2.9437	2.9437	2.9437	2.9437
C2	1.8225		2.7606	1.5199	4.1542	1.0911	1.0911	2.8934	2.8934	2.1539	4.9144	2.1646	2.1646	4.4897	4.4897
C3	1.8225	2.7606		4.1542	1.5199	2.8934	2.8934	1.0911	1.0911	4.9144	2.1539	4.4897	4.4897	2.1646	2.1646
C4	2.7443	1.5199	4.1542		5.4146	2.1562	2.1562	4.3284	4.3284	1.0905	6.2817	1.0896	1.0896	5.6155	5.6155
C5	2.7443	4.1542	1.5199	5.4146		4.3284	4.3284	2.1562	2.1562	6.2817	1.0905	5.6155	5.6155	1.0896	1.0896
H6	2.4079	1.0911	2.8934	2.1562	4.3284		1.7707	2.6014	3.1469	2.4920	4.9595	3.0663	2.5051	4.5668	4.8971
H7	2.4079	1.0911	2.8934	2.1562	4.3284	1.7707		3.1469	2.6014	2.4920	4.9595	2.5051	3.0663	4.8971	4.5668
H8	2.4079	2.8934	1.0911	4.3284	2.1562	2.6014	3.1469		1.7707	4.9595	2.4920	4.8971	4.5668	2.5051	3.0663
H9	2.4079	2.8934	1.0911	4.3284	2.1562	3.1469	2.6014	1.7707		4.9595	2.4920	4.5668	4.8971	3.0663	2.5051
H10	3.7196	2.1539	4.9144	1.0905	6.2817	2.4920	2.4920	4.9595	4.9595		7.0680	1.7657	1.7657	6.5369	6.5369
H11	3.7196	4.9144	2.1539	6.2817	1.0905	4.9595	4.9595	2.4920	2.4920	7.0680		6.5369	6.5369	1.7657	1.7657
H12	2.9437	2.1646	4.4897	1.0896	5.6155	3.0663	2.5051	4.8971	4.5668	1.7657	6.5369		1.7656	5.8761	5.6046
H13	2.9437	2.1646	4.4897	1.0896	5.6155	2.5051	3.0663	4.5668	4.8971	1.7657	6.5369	1.7656		5.6046	5.8761
H14	2.9437	4.4897	2.1646	5.6155	1.0896	4.5668	4.8971	2.5051	3.0663	6.5369	1.7657	5.8761	5.6046		1.7656
H15	2.9437	4.4897	2.1646	5.6155	1.0896	4.8971	4.5668	3.0663	2.5051	6.5369	1.7657	5.6046	5.8761	1.7656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	110.054	S1	C2	H6	108.867
S1	C2	H7	108.867	S1	C3	C5	110.054
S1	C3	H8	108.867	S1	C3	H9	108.867
C2	S1	C3	98.466	C2	C4	H10	110.117
C2	C4	H12	111.021	C2	C4	H13	111.021
C3	C5	H11	110.117	C3	C5	H14	111.021
C3	C5	H15	111.021	C4	C2	H6	110.266
C4	C2	H7	110.266	C5	C3	H8	110.266
C5	C3	H9	110.266	H6	C2	H7	108.478
H8	C3	H9	108.478	H10	C4	H12	108.175
H10	C4	H13	108.175	H11	C5	H14	108.175
H11	C5	H15	108.175	H12	C4	H13	108.230
H14	C5	H15	108.230

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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