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	hartrees
Energy at 0K	-555.484865
Energy at 298.15K	-555.495548
HF Energy	-554.804902
Nuclear repulsion energy	233.965499

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3202	3017	25.56
2	A₁	3114	2934	1.68
3	A₁	3108	2928	48.23
4	A₁	1569	1478	3.82
5	A₁	1559	1469	1.03
6	A₁	1475	1390	1.77
7	A₁	1383	1303	12.43
8	A₁	1143	1077	0.27
9	A₁	1042	982	2.96
10	A₁	739	696	0.00
11	A₁	344	324	0.92
12	A₁	148	139	0.27
13	A₂	3212	3026	0.00
14	A₂	3166	2983	0.00
15	A₂	1558	1468	0.00
16	A₂	1313	1237	0.00
17	A₂	1090	1027	0.00
18	A₂	816	769	0.00
19	A₂	264	249	0.00
20	A₂	80	75	0.00
21	B₁	3211	3026	37.80
22	B₁	3161	2979	20.95
23	B₁	1557	1467	15.92
24	B₁	1319	1243	0.00
25	B₁	1114	1050	0.17
26	B₁	833	785	9.00
27	B₁	260	245	0.25
28	B₁	57	54	0.85
29	B₂	3202	3017	10.47
30	B₂	3114	2934	35.19
31	B₂	3110	2930	2.52
32	B₂	1568	1477	0.42
33	B₂	1550	1461	12.10
34	B₂	1472	1387	5.82
35	B₂	1350	1272	37.01
36	B₂	1095	1032	4.70
37	B₂	1038	978	3.82
38	B₂	742	699	0.51
39	B₂	350	329	1.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.448
C2	0.000	1.394	-0.624
C3	0.000	-1.394	-0.624
C4	0.000	2.664	0.225
C5	0.000	-2.664	0.225
H6	0.864	1.378	-1.236
H7	-0.864	1.378	-1.236
H8	0.864	-1.378	-1.236
H9	-0.864	-1.378	-1.236
H10	0.000	3.514	-0.412
H11	0.000	-3.514	-0.412
H12	-0.867	2.684	0.846
H13	0.867	2.684	0.846
H14	0.867	-2.684	0.846
H15	-0.867	-2.684	0.846

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
S1		1.7583	1.7583	2.6733	2.6733	2.3411	2.3411	2.3411	2.3411	3.6175	3.6175	2.8482	2.8482	2.8482	2.8482
C2	1.7583		2.7876	1.5280	4.1457	1.0592	1.0592	2.9670	2.9670	2.1307	4.9122	2.1390	2.1390	4.4201	4.4201
C3	1.7583	2.7876		4.1457	1.5280	2.9670	2.9670	1.0592	1.0592	4.9122	2.1307	4.4201	4.4201	2.1390	2.1390
C4	2.6733	1.5280	4.1457		5.3280	2.1301	2.1301	4.3839	4.3839	1.0621	6.2106	1.0662	1.0662	5.4530	5.4530
C5	2.6733	4.1457	1.5280	5.3280		4.3839	4.3839	2.1301	2.1301	6.2106	1.0621	5.4530	5.4530	1.0662	1.0662
H6	2.3411	1.0592	2.9670	2.1301	4.3839		1.7287	2.7555	3.2528	2.4474	5.0353	3.0060	2.4573	4.5638	4.8812
H7	2.3411	1.0592	2.9670	2.1301	4.3839	1.7287		3.2528	2.7555	2.4474	5.0353	2.4573	3.0060	4.8812	4.5638
H8	2.3411	2.9670	1.0592	4.3839	2.1301	2.7555	3.2528		1.7287	5.0353	2.4474	4.8812	4.5638	2.4573	3.0060
H9	2.3411	2.9670	1.0592	4.3839	2.1301	3.2528	2.7555	1.7287		5.0353	2.4474	4.5638	4.8812	3.0060	2.4573
H10	3.6175	2.1307	4.9122	1.0621	6.2106	2.4474	2.4474	5.0353	5.0353		7.0277	1.7382	1.7382	6.3830	6.3830
H11	3.6175	4.9122	2.1307	6.2106	1.0621	5.0353	5.0353	2.4474	2.4474	7.0277		6.3830	6.3830	1.7382	1.7382
H12	2.8482	2.1390	4.4201	1.0662	5.4530	3.0060	2.4573	4.8812	4.5638	1.7382	6.3830		1.7341	5.6407	5.3675
H13	2.8482	2.1390	4.4201	1.0662	5.4530	2.4573	3.0060	4.5638	4.8812	1.7382	6.3830	1.7341		5.3675	5.6407
H14	2.8482	4.4201	2.1390	5.4530	1.0662	4.5638	4.8812	2.4573	3.0060	6.3830	1.7382	5.6407	5.3675		1.7341
H15	2.8482	4.4201	2.1390	5.4530	1.0662	4.8812	4.5638	3.0060	2.4573	6.3830	1.7382	5.3675	5.6407	1.7341

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	108.669	S1	C2	H6	109.892
S1	C2	H7	109.892	S1	C3	C5	108.669
S1	C3	H8	109.892	S1	C3	H9	109.892
C2	S1	C3	104.875	C2	C4	H10	109.381
C2	C4	H12	109.798	C2	C4	H13	109.798
C3	C5	H11	109.381	C3	C5	H14	109.798
C3	C5	H15	109.798	C4	C2	H6	109.498
C4	C2	H7	109.498	C5	C3	H8	109.498
C5	C3	H9	109.498	H6	C2	H7	109.376
H8	C3	H9	109.376	H10	C4	H12	109.513
H10	C4	H13	109.513	H11	C5	H14	109.513
H11	C5	H15	109.513	H12	C4	H13	108.823
H14	C5	H15	108.823

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

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

States and conformations

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