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	hartrees
Energy at 0K	-874.908450
Energy at 298.15K	-874.914591
HF Energy	-874.292044
Nuclear repulsion energy	219.535833

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3180	3051	4.81
2	A	3165	3036	7.63
3	A	3068	2943	20.86
4	A	1478	1418	0.40
5	A	1466	1406	5.32
6	A	1355	1300	2.49
7	A	980	940	2.48
8	A	973	933	1.53
9	A	716	687	0.13
10	A	505	484	0.28
11	A	236	226	1.04
12	A	157	150	0.04
13	A	97	93	1.06
14	B	3179	3050	11.16
15	B	3165	3036	8.05
16	B	3066	2942	26.13
17	B	1481	1421	13.18
18	B	1460	1400	7.89
19	B	1346	1292	11.87
20	B	979	939	12.10
21	B	972	932	1.78
22	B	713	685	1.73
23	B	266	255	1.00
24	B	166	159	0.27

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.045	-0.503
S2	0.000	-1.045	-0.503
C3	1.227	1.403	0.808
C4	-1.227	-1.403	0.808
H5	1.319	2.503	0.857
H6	0.886	1.028	1.787
H7	2.205	0.964	0.554
H8	-1.319	-2.503	0.857
H9	-0.886	-1.028	1.787
H10	-2.205	-0.964	0.554

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.0902	1.8310	3.0364	2.3907	2.4556	2.4465	4.0224	3.2133	3.1645
S2	2.0902		3.0364	1.8310	4.0224	3.2133	3.1645	2.3907	2.4556	2.4465
C3	1.8310	3.0364		3.7282	1.1047	1.1029	1.1019	4.6632	3.3662	4.1767
C4	3.0364	1.8310	3.7282		4.6632	3.3662	4.1767	1.1047	1.1029	1.1019
H5	2.3907	4.0224	1.1047	4.6632		1.7973	1.8017	5.6588	4.2652	4.9526
H6	2.4556	3.2133	1.1029	3.3662	1.7973		1.8068	4.2652	2.7132	3.8778
H7	2.4465	3.1645	1.1019	4.1767	1.8017	1.8068		4.9526	3.8778	4.8125
H8	4.0224	2.3907	4.6632	1.1047	5.6588	4.2652	4.9526		1.7973	1.8017
H9	3.2133	2.4556	3.3662	1.1029	4.2652	2.7132	3.8778	1.7973		1.8068
H10	3.1645	2.4465	4.1767	1.1019	4.9526	3.8778	4.8125	1.8017	1.8068

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	101.284	S1	C3	H5	106.405
S1	C3	H6	111.206	S1	C3	H7	110.586
S2	S1	C3	101.284	S2	C4	H8	106.405
S2	C4	H9	111.206	S2	C4	H10	110.586
H5	C3	H6	109.012	H5	C3	H7	109.474
H6	C3	H7	110.069	H8	C4	H9	109.012
H8	C4	H10	109.474	H9	C4	H10	110.069

All results from a given calculation for CH₃SSCH₃ (Disulfide, dimethyl)

using model chemistry: QCISD/cc-pVDZ

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 CH3SSCH3 (Disulfide, dimethyl)

using model chemistry: QCISD/cc-pVDZ

States and conformations

All results from a given calculation for CH₃SSCH₃ (Disulfide, dimethyl)