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	hartrees
Energy at 0K	-37.981417
Energy at 298.15K	-37.991749
HF Energy	-37.601431
Nuclear repulsion energy	97.676563

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3133	3027	80.00
2	A₁	3054	2951	79.98
3	A₁	3035	2933	11.48
4	A₁	1523	1472	7.32
5	A₁	1504	1454	0.06
6	A₁	1457	1408	4.41
7	A₁	1364	1318	16.69
8	A₁	1110	1073	0.14
9	A₁	1012	978	3.81
10	A₁	654	632	0.00
11	A₁	311	301	0.88
12	A₁	130	126	0.44
13	A₂	3152	3046	0.00
14	A₂	3128	3022	0.00
15	A₂	1509	1458	0.00
16	A₂	1280	1237	0.00
17	A₂	1057	1021	0.00
18	A₂	806	779	0.00
19	A₂	241	233	0.00
20	A₂	46	44	0.00
21	B₁	3152	3045	167.68
22	B₁	3126	3020	13.97
23	B₁	1509	1458	16.23
24	B₁	1286	1243	0.40
25	B₁	1078	1042	0.53
26	B₁	820	792	15.02
27	B₁	244	236	0.20
28	B₁	43	42	0.95
29	B₂	3133	3027	23.34
30	B₂	3054	2952	10.02
31	B₂	3035	2933	85.73
32	B₂	1523	1471	0.98
33	B₂	1495	1445	5.06
34	B₂	1456	1407	6.06
35	B₂	1328	1283	51.62
36	B₂	1067	1031	5.16
37	B₂	1007	973	6.28
38	B₂	655	633	2.53
39	B₂	326	315	1.43

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.599
C2	0.000	1.451	-0.651
C3	0.000	-1.451	-0.651
C4	0.000	2.810	0.125
C5	0.000	-2.810	0.125
H6	0.906	1.362	-1.289
H7	-0.906	1.362	-1.289
H8	0.906	-1.362	-1.289
H9	-0.906	-1.362	-1.289
H10	0.000	3.656	-0.598
H11	0.000	-3.656	-0.598
H12	-0.900	2.901	0.768
H13	0.900	2.901	0.768
H14	0.900	-2.901	0.768
H15	-0.900	-2.901	0.768

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
S1		1.9150	1.9150	2.8501	2.8501	2.4981	2.4981	2.4981	2.4981	3.8472	3.8472	3.0424	3.0424	3.0424	3.0424
C2	1.9150		2.9010	1.5653	4.3308	1.1112	1.1112	3.0227	3.0227	2.2064	5.1070	2.2202	2.2202	4.6651	4.6651
C3	1.9150	2.9010		4.3308	1.5653	3.0227	3.0227	1.1112	1.1112	5.1070	2.2064	4.6651	4.6651	2.2202	2.2202
C4	2.8501	1.5653	4.3308		5.6205	2.2171	2.2171	4.4972	4.4972	1.1123	6.5067	1.1102	1.1102	5.8179	5.8179
C5	2.8501	4.3308	1.5653	5.6205		4.4972	4.4972	2.2171	2.2171	6.5067	1.1123	5.8179	5.8179	1.1102	1.1102
H6	2.4981	1.1112	3.0227	2.2171	4.4972		1.8111	2.7238	3.2710	2.5616	5.1458	3.1403	2.5694	4.7337	5.0663
H7	2.4981	1.1112	3.0227	2.2171	4.4972	1.8111		3.2710	2.7238	2.5616	5.1458	2.5694	3.1403	5.0663	4.7337
H8	2.4981	3.0227	1.1112	4.4972	2.2171	2.7238	3.2710		1.8111	5.1458	2.5616	5.0663	4.7337	2.5694	3.1403
H9	2.4981	3.0227	1.1112	4.4972	2.2171	3.2710	2.7238	1.8111		5.1458	2.5616	4.7337	5.0663	3.1403	2.5694
H10	3.8472	2.2064	5.1070	1.1123	6.5067	2.5616	2.5616	5.1458	5.1458		7.3125	1.8015	1.8015	6.7586	6.7586
H11	3.8472	5.1070	2.2064	6.5067	1.1123	5.1458	5.1458	2.5616	2.5616	7.3125		6.7586	6.7586	1.8015	1.8015
H12	3.0424	2.2202	4.6651	1.1102	5.8179	3.1403	2.5694	5.0663	4.7337	1.8015	6.7586		1.7998	6.0755	5.8028
H13	3.0424	2.2202	4.6651	1.1102	5.8179	2.5694	3.1403	4.7337	5.0663	1.8015	6.7586	1.7998		5.8028	6.0755
H14	3.0424	4.6651	2.2202	5.8179	1.1102	4.7337	5.0663	2.5694	3.1403	6.7586	1.8015	6.0755	5.8028		1.7998
H15	3.0424	4.6651	2.2202	5.8179	1.1102	5.0663	4.7337	3.1403	2.5694	6.7586	1.8015	5.8028	6.0755	1.7998

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	109.544	S1	C2	H6	108.326
S1	C2	H7	108.326	S1	C3	C5	109.544
S1	C3	H8	108.326	S1	C3	H9	108.326
C2	S1	C3	98.479	C2	C4	H10	109.817
C2	C4	H12	111.012	C2	C4	H13	111.012
C3	C5	H11	109.817	C3	C5	H14	111.012
C3	C5	H15	111.012	C4	C2	H6	110.710
C4	C2	H7	110.710	C5	C3	H8	110.710
C5	C3	H9	110.710	H6	C2	H7	109.158
H8	C3	H9	109.158	H10	C4	H12	108.304
H10	C4	H13	108.304	H11	C5	H14	108.304
H11	C5	H15	108.304	H12	C4	H13	108.303
H14	C5	H15	108.303

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

using model chemistry: MP2/CEP-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/CEP-31G

States and conformations

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