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	hartrees
Energy at 0K	-555.740168
Energy at 298.15K	-555.750845
HF Energy	-554.855090
Nuclear repulsion energy	234.106311

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3174	3006	29.51
2	A₁	3087	2923	0.48
3	A₁	3083	2919	60.44
4	A₁	1544	1462	6.77
5	A₁	1530	1449	0.23
6	A₁	1453	1376	3.53
7	A₁	1370	1298	16.71
8	A₁	1130	1070	0.43
9	A₁	1032	977	3.25
10	A₁	733	694	0.00
11	A₁	343	324	1.02
12	A₁	146	138	0.23
13	A₂	3184	3016	0.00
14	A₂	3142	2976	0.00
15	A₂	1534	1453	0.00
16	A₂	1297	1228	0.00
17	A₂	1078	1021	0.00
18	A₂	806	763	0.00
19	A₂	268	254	0.00
20	A₂	74	70	0.00
21	B₁	3183	3015	45.24
22	B₁	3137	2971	21.33
23	B₁	1533	1452	22.25
24	B₁	1305	1236	0.31
25	B₁	1103	1045	1.77
26	B₁	826	782	13.12
27	B₁	264	250	0.19
28	B₁	58	55	0.97
29	B₂	3174	3006	11.81
30	B₂	3086	2923	41.56
31	B₂	3084	2921	2.69
32	B₂	1543	1461	0.96
33	B₂	1521	1441	9.09
34	B₂	1451	1374	9.31
35	B₂	1334	1264	32.17
36	B₂	1082	1025	3.76
37	B₂	1026	972	4.90
38	B₂	734	695	0.50
39	B₂	348	330	0.81

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.558
C2	0.000	1.377	-0.619
C3	0.000	-1.377	-0.619
C4	0.000	2.702	0.133
C5	0.000	-2.702	0.133
H6	0.886	1.305	-1.256
H7	-0.886	1.305	-1.256
H8	0.886	-1.305	-1.256
H9	-0.886	-1.305	-1.256
H10	0.000	3.537	-0.572
H11	0.000	-3.537	-0.572
H12	-0.884	2.794	0.767
H13	0.884	2.794	0.767
H14	0.884	-2.794	0.767
H15	-0.884	-2.794	0.767

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
S1		1.8113	1.8113	2.7354	2.7354	2.4037	2.4037	2.4037	2.4037	3.7129	3.7129	2.9380	2.9380	2.9380	2.9380
C2	1.8113		2.7546	1.5232	4.1482	1.0938	1.0938	2.8961	2.8961	2.1600	4.9143	2.1697	2.1697	4.4833	4.4833
C3	1.8113	2.7546		4.1482	1.5232	2.8961	2.8961	1.0938	1.0938	4.9143	2.1600	4.4833	4.4833	2.1697	2.1697
C4	2.7354	1.5232	4.1482		5.4044	2.1599	2.1599	4.3328	4.3328	1.0925	6.2787	1.0917	1.0917	5.6029	5.6029
C5	2.7354	4.1482	1.5232	5.4044		4.3328	4.3328	2.1599	2.1599	6.2787	1.0925	5.6029	5.6029	1.0917	1.0917
H6	2.4037	1.0938	2.8961	2.1599	4.3328		1.7725	2.6104	3.1553	2.4965	4.9696	3.0725	2.5111	4.5709	4.9018
H7	2.4037	1.0938	2.8961	2.1599	4.3328	1.7725		3.1553	2.6104	2.4965	4.9696	2.5111	3.0725	4.9018	4.5709
H8	2.4037	2.8961	1.0938	4.3328	2.1599	2.6104	3.1553		1.7725	4.9696	2.4965	4.9018	4.5709	2.5111	3.0725
H9	2.4037	2.8961	1.0938	4.3328	2.1599	3.1553	2.6104	1.7725		4.9696	2.4965	4.5709	4.9018	3.0725	2.5111
H10	3.7129	2.1600	4.9143	1.0925	6.2787	2.4965	2.4965	4.9696	4.9696		7.0735	1.7680	1.7680	6.5309	6.5309
H11	3.7129	4.9143	2.1600	6.2787	1.0925	4.9696	4.9696	2.4965	2.4965	7.0735		6.5309	6.5309	1.7680	1.7680
H12	2.9380	2.1697	4.4833	1.0917	5.6029	3.0725	2.5111	4.9018	4.5709	1.7680	6.5309		1.7685	5.8612	5.5880
H13	2.9380	2.1697	4.4833	1.0917	5.6029	2.5111	3.0725	4.5709	4.9018	1.7680	6.5309	1.7685		5.5880	5.8612
H14	2.9380	4.4833	2.1697	5.6029	1.0917	4.5709	4.9018	2.5111	3.0725	6.5309	1.7680	5.8612	5.5880		1.7685
H15	2.9380	4.4833	2.1697	5.6029	1.0917	4.9018	4.5709	3.0725	2.5111	6.5309	1.7680	5.5880	5.8612	1.7685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	109.935	S1	C2	H6	109.157
S1	C2	H7	109.157	S1	C3	C5	109.935
S1	C3	H8	109.157	S1	C3	H9	109.157
C2	S1	C3	98.996	C2	C4	H10	110.243
C2	C4	H12	111.069	C2	C4	H13	111.069
C3	C5	H11	110.243	C3	C5	H14	111.069
C3	C5	H15	111.069	C4	C2	H6	110.161
C4	C2	H7	110.161	C5	C3	H8	110.161
C5	C3	H9	110.161	H6	C2	H7	108.236
H8	C3	H9	108.236	H10	C4	H12	108.079
H10	C4	H13	108.079	H11	C5	H14	108.079
H11	C5	H15	108.079	H12	C4	H13	108.192
H14	C5	H15	108.192

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

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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