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	hartrees
Energy at 0K	-555.535852
Energy at 298.15K	-555.546529
HF Energy	-554.820893
Nuclear repulsion energy	234.067611

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3230	3025	27.85
2	A₁	3135	2936	1.80
3	A₁	3129	2930	51.68
4	A₁	1564	1465	2.33
5	A₁	1552	1454	1.32
6	A₁	1468	1375	0.85
7	A₁	1377	1290	11.35
8	A₁	1140	1068	0.49
9	A₁	1039	973	2.33
10	A₁	737	691	0.00
11	A₁	342	320	0.81
12	A₁	147	137	0.21
13	A₂	3238	3033	0.00
14	A₂	3190	2988	0.00
15	A₂	1552	1454	0.00
16	A₂	1310	1227	0.00
17	A₂	1084	1016	0.00
18	A₂	810	759	0.00
19	A₂	266	249	0.00
20	A₂	73	69	0.00
21	B₁	3238	3032	41.80
22	B₁	3186	2983	23.16
23	B₁	1552	1453	12.61
24	B₁	1316	1232	0.00
25	B₁	1109	1039	0.19
26	B₁	827	774	6.63
27	B₁	263	246	0.24
28	B₁	55	52	0.78
29	B₂	3230	3025	11.29
30	B₂	3135	2936	38.61
31	B₂	3130	2932	1.95
32	B₂	1564	1464	0.23
33	B₂	1543	1445	10.85
34	B₂	1465	1372	2.72
35	B₂	1345	1259	43.95
36	B₂	1092	1022	3.17
37	B₂	1034	969	3.06
38	B₂	740	693	0.56
39	B₂	347	325	0.95

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.562
C2	0.000	1.379	-0.616
C3	0.000	-1.379	-0.616
C4	0.000	2.706	0.129
C5	0.000	-2.706	0.129
H6	0.882	1.305	-1.254
H7	-0.882	1.305	-1.254
H8	0.882	-1.305	-1.254
H9	-0.882	-1.305	-1.254
H10	0.000	3.533	-0.579
H11	0.000	-3.533	-0.579
H12	-0.882	2.798	0.760
H13	0.882	2.798	0.760
H14	0.882	-2.798	0.760
H15	-0.882	-2.798	0.760

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
S1		1.8136	1.8136	2.7405	2.7405	2.4039	2.4039	2.4039	2.4039	3.7132	3.7132	2.9405	2.9405	2.9405	2.9405
C2	1.8136		2.7579	1.5220	4.1524	1.0911	1.0911	2.8965	2.8965	2.1549	4.9126	2.1648	2.1648	4.4855	4.4855
C3	1.8136	2.7579		4.1524	1.5220	2.8965	2.8965	1.0911	1.0911	4.9126	2.1549	4.4855	4.4855	2.1648	2.1648
C4	2.7405	1.5220	4.1524		5.4121	2.1571	2.1571	4.3337	4.3337	1.0892	6.2796	1.0885	1.0885	5.6100	5.6100
C5	2.7405	4.1524	1.5220	5.4121		4.3337	4.3337	2.1571	2.1571	6.2796	1.0892	5.6100	5.6100	1.0885	1.0885
H6	2.4039	1.0911	2.8965	2.1571	4.3337		1.7645	2.6104	3.1508	2.4897	4.9645	3.0656	2.5070	4.5709	4.8996
H7	2.4039	1.0911	2.8965	2.1571	4.3337	1.7645		3.1508	2.6104	2.4897	4.9645	2.5070	3.0656	4.8996	4.5709
H8	2.4039	2.8965	1.0911	4.3337	2.1571	2.6104	3.1508		1.7645	4.9645	2.4897	4.8996	4.5709	2.5070	3.0656
H9	2.4039	2.8965	1.0911	4.3337	2.1571	3.1508	2.6104	1.7645		4.9645	2.4897	4.5709	4.8996	3.0656	2.5070
H10	3.7132	2.1549	4.9126	1.0892	6.2796	2.4897	2.4897	4.9645	4.9645		7.0670	1.7644	1.7644	6.5315	6.5315
H11	3.7132	4.9126	2.1549	6.2796	1.0892	4.9645	4.9645	2.4897	2.4897	7.0670		6.5315	6.5315	1.7644	1.7644
H12	2.9405	2.1648	4.4855	1.0885	5.6100	3.0656	2.5070	4.8996	4.5709	1.7644	6.5315		1.7643	5.8677	5.5962
H13	2.9405	2.1648	4.4855	1.0885	5.6100	2.5070	3.0656	4.5709	4.8996	1.7644	6.5315	1.7643		5.5962	5.8677
H14	2.9405	4.4855	2.1648	5.6100	1.0885	4.5709	4.8996	2.5070	3.0656	6.5315	1.7644	5.8677	5.5962		1.7643
H15	2.9405	4.4855	2.1648	5.6100	1.0885	4.8996	4.5709	3.0656	2.5070	6.5315	1.7644	5.5962	5.8677	1.7643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	110.179	S1	C2	H6	109.163
S1	C2	H7	109.163	S1	C3	C5	110.179
S1	C3	H8	109.163	S1	C3	H9	109.163
C2	S1	C3	98.986	C2	C4	H10	110.123
C2	C4	H12	110.950	C2	C4	H13	110.950
C3	C5	H11	110.123	C3	C5	H14	110.950
C3	C5	H15	110.950	C4	C2	H6	110.187
C4	C2	H7	110.187	C5	C3	H8	110.187
C5	C3	H9	110.187	H6	C2	H7	107.916
H8	C3	H9	107.916	H10	C4	H12	108.228
H10	C4	H13	108.228	H11	C5	H14	108.228
H11	C5	H15	108.228	H12	C4	H13	108.269
H14	C5	H15	108.269

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

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

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