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	hartrees
Energy at 0K	-38.327060
Energy at 298.15K	-38.337621
HF Energy	-37.706962
Nuclear repulsion energy	99.896325

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3185	3024	46.12
2	A₁	3093	2937	46.97
3	A₁	3089	2933	27.77
4	A₁	1528	1451	5.73
5	A₁	1518	1441	0.36
6	A₁	1446	1373	1.73
7	A₁	1354	1285	15.55
8	A₁	1124	1067	0.18
9	A₁	1023	972	3.09
10	A₁	728	691	0.01
11	A₁	335	318	0.75
12	A₁	140	132	0.37
13	A₂	3199	3037	0.00
14	A₂	3164	3004	0.00
15	A₂	1517	1440	0.00
16	A₂	1285	1220	0.00
17	A₂	1061	1007	0.00
18	A₂	796	756	0.00
19	A₂	255	242	0.00
20	A₂	72	68	0.00
21	B₁	3199	3037	79.83
22	B₁	3159	2999	31.41
23	B₁	1517	1440	16.77
24	B₁	1292	1226	0.43
25	B₁	1083	1028	0.28
26	B₁	814	773	11.24
27	B₁	254	241	0.24
28	B₁	60	57	1.05
29	B₂	3186	3024	14.32
30	B₂	3095	2938	16.98
31	B₂	3089	2933	50.17
32	B₂	1527	1450	0.22
33	B₂	1511	1435	7.10
34	B₂	1442	1369	6.17
35	B₂	1320	1253	46.42
36	B₂	1078	1024	3.70
37	B₂	1016	965	5.24
38	B₂	731	694	1.12
39	B₂	340	323	1.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.565
C2	0.000	1.391	-0.628
C3	0.000	-1.391	-0.628
C4	0.000	2.733	0.137
C5	0.000	-2.733	0.137
H6	0.897	1.317	-1.270
H7	-0.897	1.317	-1.270
H8	0.897	-1.317	-1.270
H9	-0.897	-1.317	-1.270
H10	0.000	3.574	-0.580
H11	0.000	-3.574	-0.580
H12	-0.895	2.820	0.776
H13	0.895	2.820	0.776
H14	0.895	-2.820	0.776
H15	-0.895	-2.820	0.776

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
S1		1.8327	1.8327	2.7661	2.7661	2.4297	2.4297	2.4297	2.4297	3.7526	3.7526	2.9667	2.9667	2.9667	2.9667
C2	1.8327		2.7825	1.5445	4.1945	1.1053	1.1053	2.9239	2.9239	2.1830	4.9652	2.1948	2.1948	4.5291	4.5291
C3	1.8327	2.7825		4.1945	1.5445	2.9239	2.9239	1.1053	1.1053	4.9652	2.1830	4.5291	4.5291	2.1948	2.1948
C4	2.7661	1.5445	4.1945		5.4656	2.1884	2.1884	4.3797	4.3797	1.1052	6.3472	1.1036	1.1036	5.6612	5.6612
C5	2.7661	4.1945	1.5445	5.4656		4.3797	4.3797	2.1884	2.1884	6.3472	1.1052	5.6612	5.6612	1.1036	1.1036
H6	2.4297	1.1053	2.9239	2.1884	4.3797		1.7942	2.6334	3.1865	2.5248	5.0196	3.1081	2.5392	4.6154	4.9512
H7	2.4297	1.1053	2.9239	2.1884	4.3797	1.7942		3.1865	2.6334	2.5248	5.0196	2.5392	3.1081	4.9512	4.6154
H8	2.4297	2.9239	1.1053	4.3797	2.1884	2.6334	3.1865		1.7942	5.0196	2.5248	4.9512	4.6154	2.5392	3.1081
H9	2.4297	2.9239	1.1053	4.3797	2.1884	3.1865	2.6334	1.7942		5.0196	2.5248	4.6154	4.9512	3.1081	2.5392
H10	3.7526	2.1830	4.9652	1.1052	6.3472	2.5248	2.5248	5.0196	5.0196		7.1475	1.7914	1.7914	6.5975	6.5975
H11	3.7526	4.9652	2.1830	6.3472	1.1052	5.0196	5.0196	2.5248	2.5248	7.1475		6.5975	6.5975	1.7914	1.7914
H12	2.9667	2.1948	4.5291	1.1036	5.6612	3.1081	2.5392	4.9512	4.6154	1.7914	6.5975		1.7906	5.9183	5.6409
H13	2.9667	2.1948	4.5291	1.1036	5.6612	2.5392	3.1081	4.6154	4.9512	1.7914	6.5975	1.7906		5.6409	5.9183
H14	2.9667	4.5291	2.1948	5.6612	1.1036	4.6154	4.9512	2.5392	3.1081	6.5975	1.7914	5.9183	5.6409		1.7906
H15	2.9667	4.5291	2.1948	5.6612	1.1036	4.9512	4.6154	3.1081	2.5392	6.5975	1.7914	5.6409	5.9183	1.7906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	109.685	S1	C2	H6	109.058
S1	C2	H7	109.058	S1	C3	C5	109.685
S1	C3	H8	109.058	S1	C3	H9	109.058
C2	S1	C3	98.775	C2	C4	H10	109.841
C2	C4	H12	110.857	C2	C4	H13	110.857
C3	C5	H11	109.841	C3	C5	H14	110.857
C3	C5	H15	110.857	C4	C2	H6	110.252
C4	C2	H7	110.252	C5	C3	H8	110.252
C5	C3	H9	110.252	H6	C2	H7	108.505
H8	C3	H9	108.505	H10	C4	H12	108.389
H10	C4	H13	108.389	H11	C5	H14	108.389
H11	C5	H15	108.389	H12	C4	H13	108.432
H14	C5	H15	108.432

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

using model chemistry: MP2/CEP-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 C2H5SC2H5 (Diethyl sulfide)

using model chemistry: MP2/CEP-31G*

States and conformations

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