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	hartrees
Energy at 0K	-38.036069
Energy at 298.15K	-38.046399
HF Energy	-37.615519
Nuclear repulsion energy	98.155779

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3072	2999	58.25
2	A₁	2995	2923	63.05
3	A₁	2972	2901	12.14
4	A₁	1522	1485	5.51
5	A₁	1502	1466	0.91
6	A₁	1457	1422	4.19
7	A₁	1361	1328	14.70
8	A₁	1105	1079	0.68
9	A₁	1005	981	3.46
10	A₁	649	634	0.03
11	A₁	308	301	0.71
12	A₁	131	128	0.27
13	A₂	3092	3018	0.00
14	A₂	3067	2993	0.00
15	A₂	1507	1471	0.00
16	A₂	1274	1243	0.00
17	A₂	1054	1029	0.00
18	A₂	790	771	0.00
19	A₂	246	240	0.00
20	A₂	28	28	0.00
21	B₁	3091	3017	113.51
22	B₁	3065	2992	5.68
23	B₁	1507	1471	17.83
24	B₁	1279	1249	0.03
25	B₁	1077	1051	0.41
26	B₁	803	784	7.93
27	B₁	249	243	0.16
28	B₁	37	36	0.71
29	B₂	3073	2999	20.13
30	B₂	2995	2924	5.21
31	B₂	2972	2901	71.31
32	B₂	1521	1484	0.83
33	B₂	1493	1457	5.85
34	B₂	1456	1422	6.06
35	B₂	1325	1293	53.25
36	B₂	1061	1036	3.01
37	B₂	1001	977	6.52
38	B₂	653	638	2.76
39	B₂	321	313	1.47

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.599
C2	0.000	1.449	-0.649
C3	0.000	-1.449	-0.649
C4	0.000	2.800	0.122
C5	0.000	-2.800	0.122
H6	0.900	1.357	-1.279
H7	-0.900	1.357	-1.279
H8	0.900	-1.357	-1.279
H9	-0.900	-1.357	-1.279
H10	0.000	3.640	-0.594
H11	0.000	-3.640	-0.594
H12	-0.894	2.889	0.760
H13	0.894	2.889	0.760
H14	0.894	-2.889	0.760
H15	-0.894	-2.889	0.760

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
S1		1.9127	1.9127	2.8399	2.8399	2.4858	2.4858	2.4858	2.4858	3.8302	3.8302	3.0284	3.0284	3.0284	3.0284
C2	1.9127		2.8982	1.5551	4.3180	1.1026	1.1026	3.0134	3.0134	2.1913	5.0891	2.2044	2.2044	4.6481	4.6481
C3	1.9127	2.8982		4.3180	1.5551	3.0134	3.0134	1.1026	1.1026	5.0891	2.1913	4.6481	4.6481	2.2044	2.2044
C4	2.8399	1.5551	4.3180		5.5990	2.2033	2.2033	4.4776	4.4776	1.1038	6.4789	1.1021	1.1021	5.7936	5.7936
C5	2.8399	4.3180	1.5551	5.5990		4.4776	4.4776	2.2033	2.2033	6.4789	1.1038	5.7936	5.7936	1.1021	1.1021
H6	2.4858	1.1026	3.0134	2.2033	4.4776		1.8007	2.7137	3.2568	2.5478	5.1230	3.1187	2.5509	4.7103	5.0404
H7	2.4858	1.1026	3.0134	2.2033	4.4776	1.8007		3.2568	2.7137	2.5478	5.1230	2.5509	3.1187	5.0404	4.7103
H8	2.4858	3.0134	1.1026	4.4776	2.2033	2.7137	3.2568		1.8007	5.1230	2.5478	5.0404	4.7103	2.5509	3.1187
H9	2.4858	3.0134	1.1026	4.4776	2.2033	3.2568	2.7137	1.8007		5.1230	2.5478	4.7103	5.0404	3.1187	2.5509
H10	3.8302	2.1913	5.0891	1.1038	6.4789	2.5478	2.5478	5.1230	5.1230		7.2794	1.7879	1.7879	6.7273	6.7273
H11	3.8302	5.0891	2.1913	6.4789	1.1038	5.1230	5.1230	2.5478	2.5478	7.2794		6.7273	6.7273	1.7879	1.7879
H12	3.0284	2.2044	4.6481	1.1021	5.7936	3.1187	2.5509	5.0404	4.7103	1.7879	6.7273		1.7878	6.0482	5.7780
H13	3.0284	2.2044	4.6481	1.1021	5.7936	2.5509	3.1187	4.7103	5.0404	1.7879	6.7273	1.7878		5.7780	6.0482
H14	3.0284	4.6481	2.2044	5.7936	1.1021	4.7103	5.0404	2.5509	3.1187	6.7273	1.7879	6.0482	5.7780		1.7878
H15	3.0284	4.6481	2.2044	5.7936	1.1021	5.0404	4.7103	3.1187	2.5509	6.7273	1.7879	5.7780	6.0482	1.7878

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	109.523	S1	C2	H6	108.024
S1	C2	H7	108.024	S1	C3	C5	109.523
S1	C3	H8	108.024	S1	C3	H9	108.024
C2	S1	C3	98.508	C2	C4	H10	109.839
C2	C4	H12	110.965	C2	C4	H13	110.965
C3	C5	H11	109.839	C3	C5	H14	110.965
C3	C5	H15	110.965	C4	C2	H6	110.848
C4	C2	H7	110.848	C5	C3	H8	110.848
C5	C3	H9	110.848	H6	C2	H7	109.485
H8	C3	H9	109.485	H10	C4	H12	108.294
H10	C4	H13	108.294	H11	C5	H14	108.294
H11	C5	H15	108.294	H12	C4	H13	108.399
H14	C5	H15	108.399

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

using model chemistry: MP2/CEP-121G

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-121G

States and conformations

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