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	hartrees
Energy at 0K	-555.575736
Energy at 298.15K	-555.586333
HF Energy	-554.822498
Nuclear repulsion energy	234.184805

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3220	3024	30.37
2	A₁	3125	2935	0.82
3	A₁	3119	2929	60.79
4	A₁	1548	1454	4.61
5	A₁	1534	1441	0.38
6	A₁	1462	1373	1.55
7	A₁	1372	1288	13.26
8	A₁	1135	1066	0.79
9	A₁	1036	973	2.58
10	A₁	734	690	0.00
11	A₁	343	322	0.81
12	A₁	147	138	0.17
13	A₂	3229	3033	0.00
14	A₂	3183	2990	0.00
15	A₂	1536	1443	0.00
16	A₂	1294	1215	0.00
17	A₂	1069	1004	0.00
18	A₂	807	758	0.00
19	A₂	259	244	0.00
20	A₂	48	45	0.00
21	B₁	3229	3032	41.91
22	B₁	3177	2984	18.62
23	B₁	1536	1443	18.00
24	B₁	1294	1216	0.15
25	B₁	1092	1026	0.22
26	B₁	823	773	5.53
27	B₁	256	240	0.15
28	B₁	52	49	0.78
29	B₂	3220	3024	10.89
30	B₂	3125	2935	48.74
31	B₂	3121	2932	0.86
32	B₂	1547	1453	1.14
33	B₂	1528	1435	9.84
34	B₂	1459	1370	5.53
35	B₂	1340	1258	41.27
36	B₂	1087	1021	1.95
37	B₂	1032	969	3.31
38	B₂	737	692	0.57
39	B₂	347	326	0.98

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.565
C2	0.000	1.376	-0.614
C3	0.000	-1.376	-0.614
C4	0.000	2.706	0.124
C5	0.000	-2.706	0.124
H6	0.883	1.301	-1.250
H7	-0.883	1.301	-1.250
H8	0.883	-1.301	-1.250
H9	-0.883	-1.301	-1.250
H10	0.000	3.529	-0.589
H11	0.000	-3.529	-0.589
H12	-0.882	2.802	0.754
H13	0.882	2.802	0.754
H14	0.882	-2.802	0.754
H15	-0.882	-2.802	0.754

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
S1		1.8121	1.8121	2.7414	2.7414	2.4012	2.4012	2.4012	2.4012	3.7126	3.7126	2.9440	2.9440	2.9440	2.9440
C2	1.8121		2.7516	1.5213	4.1478	1.0907	1.0907	2.8893	2.8893	2.1531	4.9046	2.1647	2.1647	4.4842	4.4842
C3	1.8121	2.7516		4.1478	1.5213	2.8893	2.8893	1.0907	1.0907	4.9046	2.1531	4.4842	4.4842	2.1647	2.1647
C4	2.7414	1.5213	4.1478		5.4116	2.1545	2.1545	4.3267	4.3267	1.0890	6.2752	1.0883	1.0883	5.6138	5.6138
C5	2.7414	4.1478	1.5213	5.4116		4.3267	4.3267	2.1545	2.1545	6.2752	1.0890	5.6138	5.6138	1.0883	1.0883
H6	2.4012	1.0907	2.8893	2.1545	4.3267		1.7666	2.6016	3.1447	2.4861	4.9539	3.0639	2.5041	4.5664	4.8958
H7	2.4012	1.0907	2.8893	2.1545	4.3267	1.7666		3.1447	2.6016	2.4861	4.9539	2.5041	3.0639	4.8958	4.5664
H8	2.4012	2.8893	1.0907	4.3267	2.1545	2.6016	3.1447		1.7666	4.9539	2.4861	4.8958	4.5664	2.5041	3.0639
H9	2.4012	2.8893	1.0907	4.3267	2.1545	3.1447	2.6016	1.7666		4.9539	2.4861	4.5664	4.8958	3.0639	2.5041
H10	3.7126	2.1531	4.9046	1.0890	6.2752	2.4861	2.4861	4.9539	4.9539		7.0575	1.7635	1.7635	6.5319	6.5319
H11	3.7126	4.9046	2.1531	6.2752	1.0890	4.9539	4.9539	2.4861	2.4861	7.0575		6.5319	6.5319	1.7635	1.7635
H12	2.9440	2.1647	4.4842	1.0883	5.6138	3.0639	2.5041	4.8958	4.5664	1.7635	6.5319		1.7643	5.8759	5.6047
H13	2.9440	2.1647	4.4842	1.0883	5.6138	2.5041	3.0639	4.5664	4.8958	1.7635	6.5319	1.7643		5.6047	5.8759
H14	2.9440	4.4842	2.1647	5.6138	1.0883	4.5664	4.8958	2.5041	3.0639	6.5319	1.7635	5.8759	5.6047		1.7643
H15	2.9440	4.4842	2.1647	5.6138	1.0883	4.8958	4.5664	3.0639	2.5041	6.5319	1.7635	5.6047	5.8759	1.7643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	110.354	S1	C2	H6	109.086
S1	C2	H7	109.086	S1	C3	C5	110.354
S1	C3	H8	109.086	S1	C3	H9	109.086
C2	S1	C3	98.795	C2	C4	H10	110.045
C2	C4	H12	111.015	C2	C4	H13	111.015
C3	C5	H11	110.045	C3	C5	H14	111.015
C3	C5	H15	111.015	C4	C2	H6	110.058
C4	C2	H7	110.058	C5	C3	H8	110.058
C5	C3	H9	110.058	H6	C2	H7	108.156
H8	C3	H9	108.156	H10	C4	H12	108.181
H10	C4	H13	108.181	H11	C5	H14	108.181
H11	C5	H15	108.181	H12	C4	H13	108.306
H14	C5	H15	108.306

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

using model chemistry: MP2=FULL/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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All results from a given calculation for C2H5SC2H5 (Diethyl sulfide)

using model chemistry: MP2=FULL/6-31+G**

States and conformations

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