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	hartrees
Energy at 0K	-556.525295
Energy at 298.15K	-556.535576
Nuclear repulsion energy	229.463022

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3028	3012	48.39
2	A₁	2966	2950	0.45
3	A₁	2958	2942	70.92
4	A₁	1473	1465	4.55
5	A₁	1458	1450	0.30
6	A₁	1380	1372	1.87
7	A₁	1278	1271	12.96
8	A₁	1064	1058	0.15
9	A₁	958	953	3.73
10	A₁	647	644	0.10
11	A₁	312	310	0.85
12	A₁	132	131	0.25
13	A₂	3042	3026	0.00
14	A₂	3002	2986	0.00
15	A₂	1462	1454	0.00
16	A₂	1227	1221	0.00
17	A₂	1002	997	0.00
18	A₂	768	764	0.00
19	A₂	241	240	0.00
20	A₂	75	74	0.00
21	B₁	3041	3025	65.34
22	B₁	2997	2981	21.03
23	B₁	1461	1454	19.06
24	B₁	1231	1224	0.03
25	B₁	1023	1017	0.03
26	B₁	784	779	7.55
27	B₁	238	237	0.10
28	B₁	50	50	0.83
29	B₂	3028	3012	9.23
30	B₂	2966	2950	68.16
31	B₂	2959	2943	0.57
32	B₂	1473	1465	1.34
33	B₂	1451	1444	8.75
34	B₂	1378	1371	2.25
35	B₂	1241	1234	65.96
36	B₂	1016	1010	3.30
37	B₂	955	950	6.38
38	B₂	638	634	2.75
39	B₂	324	322	1.17

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.572
C2	0.000	1.424	-0.627
C3	0.000	-1.424	-0.627
C4	0.000	2.764	0.129
C5	0.000	-2.764	0.129
H6	0.893	1.342	-1.269
H7	-0.893	1.342	-1.269
H8	0.893	-1.342	-1.269
H9	-0.893	-1.342	-1.269
H10	0.000	3.602	-0.588
H11	0.000	-3.602	-0.588
H12	-0.892	2.864	0.768
H13	0.892	2.864	0.768
H14	0.892	-2.864	0.768
H15	-0.892	-2.864	0.768

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
S1		1.8616	1.8616	2.7994	2.7994	2.4473	2.4473	2.4473	2.4473	3.7841	3.7841	3.0058	3.0058	3.0058	3.0058
C2	1.8616		2.8473	1.5394	4.2556	1.1031	1.1031	2.9762	2.9762	2.1785	5.0256	2.1948	2.1948	4.5961	4.5961
C3	1.8616	2.8473		4.2556	1.5394	2.9762	2.9762	1.1031	1.1031	5.0256	2.1785	4.5961	4.5961	2.1948	2.1948
C4	2.7994	1.5394	4.2556		5.5283	2.1857	2.1857	4.4287	4.4287	1.1030	6.4062	1.1018	1.1018	5.7337	5.7337
C5	2.7994	4.2556	1.5394	5.5283		4.4287	4.4287	2.1857	2.1857	6.4062	1.1030	5.7337	5.7337	1.1018	1.1018
H6	2.4473	1.1031	2.9762	2.1857	4.4287		1.7869	2.6836	3.2241	2.5238	5.0696	3.1072	2.5429	4.6729	5.0025
H7	2.4473	1.1031	2.9762	2.1857	4.4287	1.7869		3.2241	2.6836	2.5238	5.0696	2.5429	3.1072	5.0025	4.6729
H8	2.4473	2.9762	1.1031	4.4287	2.1857	2.6836	3.2241		1.7869	5.0696	2.5238	5.0025	4.6729	2.5429	3.1072
H9	2.4473	2.9762	1.1031	4.4287	2.1857	3.2241	2.6836	1.7869		5.0696	2.5238	4.6729	5.0025	3.1072	2.5429
H10	3.7841	2.1785	5.0256	1.1030	6.4062	2.5238	2.5238	5.0696	5.0696		7.2036	1.7834	1.7834	6.6661	6.6661
H11	3.7841	5.0256	2.1785	6.4062	1.1030	5.0696	5.0696	2.5238	2.5238	7.2036		6.6661	6.6661	1.7834	1.7834
H12	3.0058	2.1948	4.5961	1.1018	5.7337	3.1072	2.5429	5.0025	4.6729	1.7834	6.6661		1.7845	5.9988	5.7272
H13	3.0058	2.1948	4.5961	1.1018	5.7337	2.5429	3.1072	4.6729	5.0025	1.7834	6.6661	1.7845		5.7272	5.9988
H14	3.0058	4.5961	2.1948	5.7337	1.1018	4.6729	5.0025	2.5429	3.1072	6.6661	1.7834	5.9988	5.7272		1.7845
H15	3.0058	4.5961	2.1948	5.7337	1.1018	5.0025	4.6729	3.1072	2.5429	6.6661	1.7834	5.7272	5.9988	1.7845

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	110.434	S1	C2	H6	108.553
S1	C2	H7	108.553	S1	C3	C5	110.434
S1	C3	H8	108.553	S1	C3	H9	108.553
C2	S1	C3	99.763	C2	C4	H10	109.963
C2	C4	H12	111.321	C2	C4	H13	111.321
C3	C5	H11	109.963	C3	C5	H14	111.321
C3	C5	H15	111.321	C4	C2	H6	110.525
C4	C2	H7	110.525	C5	C3	H8	110.525
C5	C3	H9	110.525	H6	C2	H7	108.180
H8	C3	H9	108.180	H10	C4	H12	107.974
H10	C4	H13	107.974	H11	C5	H14	107.974
H11	C5	H15	107.974	H12	C4	H13	108.160
H14	C5	H15	108.160

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

using model chemistry: BLYP/6-31+G**

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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Number	Element	Mulliken
1	S	-0.024
2	C	-0.143
3	C	-0.143
4	C	-0.653
5	C	-0.653
6	H	0.165
7	H	0.165
8	H	0.165
9	H	0.165
10	H	0.151
11	H	0.151
12	H	0.163
13	H	0.163
14	H	0.163
15	H	0.163

<r²>	233.487
(<r²>)^1/2	15.280

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

using model chemistry: BLYP/6-31+G**

States and conformations

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