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	hartrees
Energy at 0K	-876.260173
Energy at 298.15K	-876.266187
HF Energy	-876.260173
Nuclear repulsion energy	220.946418

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3085	3045	6.43
2	A	3069	3029	7.98
3	A	2984	2945	18.61
4	A	1447	1428	0.62
5	A	1434	1415	5.11
6	A	1313	1296	0.60
7	A	953	940	2.19
8	A	944	931	0.45
9	A	654	646	0.05
10	A	479	473	0.65
11	A	230	227	0.76
12	A	157	155	0.24
13	A	107	105	1.29
14	B	3084	3044	10.10
15	B	3069	3029	8.07
16	B	2982	2943	31.76
17	B	1450	1432	15.03
18	B	1428	1410	10.14
19	B	1305	1288	6.03
20	B	950	937	10.20
21	B	940	928	1.34
22	B	654	646	3.97
23	B	260	257	0.69
24	B	152	150	0.33

Atom	x (Å)	y (Å)	z (Å)
S1	-0.450	0.920	-0.497
S2	0.450	-0.920	-0.497
C3	0.450	1.838	0.802
C4	-0.450	-1.838	0.802
H5	0.048	2.856	0.786
H6	0.275	1.398	1.785
H7	1.517	1.862	0.578
H8	-0.048	-2.856	0.786
H9	-0.275	-1.398	1.785
H10	-1.517	-1.862	0.578

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.0476	1.8273	3.0482	2.3754	2.4420	2.4317	4.0079	3.2573	3.1674
S2	2.0476		3.0482	1.8273	4.0079	3.2573	3.1674	2.3754	2.4420	2.4317
C3	1.8273	3.0482		3.7842	1.0947	1.0917	1.0912	4.7201	3.4584	4.1959
C4	3.0482	1.8273	3.7842		4.7201	3.4584	4.1959	1.0947	1.0917	1.0912
H5	2.3754	4.0079	1.0947	4.7201		1.7826	1.7866	5.7127	4.3812	4.9748
H6	2.4420	3.2573	1.0917	3.4584	1.7826		1.7934	4.3812	2.8487	3.9106
H7	2.4317	3.1674	1.0912	4.1959	1.7866	1.7934		4.9748	3.9106	4.8035
H8	4.0079	2.3754	4.7201	1.0947	5.7127	4.3812	4.9748		1.7826	1.7866
H9	3.2573	2.4420	3.4584	1.0917	4.3812	2.8487	3.9106	1.7826		1.7934
H10	3.1674	2.4317	4.1959	1.0912	4.9748	3.9106	4.8035	1.7866	1.7934

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	103.471	S1	C3	H5	106.212
S1	C3	H6	111.148	S1	C3	H7	110.447
S2	S1	C3	103.471	S2	C4	H8	106.212
S2	C4	H9	111.148	S2	C4	H10	110.447
H5	C3	H6	109.115	H5	C3	H7	109.499
H6	C3	H7	110.319	H8	C4	H9	109.115
H8	C4	H10	109.499	H9	C4	H10	110.319

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

using model chemistry: B97D3/6-311+G(3df,2p)

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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Number	Element	Mulliken
1	S	-0.034
2	S	-0.034
3	C	-0.427
4	C	-0.427
5	H	0.146
6	H	0.153
7	H	0.163
8	H	0.146
9	H	0.153
10	H	0.163

	x	y	z	Total
	0.000	0.000	2.019	2.019
CHELPG
AIM
ESP

	x	y	z
x	9.089	0.063	0.000
y	0.063	13.653	0.000
z	0.000	0.000	9.600

<r²>	156.841
(<r²>)^1/2	12.524

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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