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	hartrees
Energy at 0K	-874.316163
Energy at 298.15K	-874.322581
Nuclear repulsion energy	221.505066

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3290	2989	9.32
2	A	3274	2974	9.84
3	A	3191	2899	27.97
4	A	1594	1448	0.17
5	A	1587	1442	7.12
6	A	1492	1355	5.57
7	A	1073	975	7.42
8	A	1071	973	0.27
9	A	765	695	1.90
10	A	542	492	0.28
11	A	255	231	1.88
12	A	178	162	0.02
13	A	101	91	1.77
14	B	3289	2988	16.61
15	B	3272	2973	11.92
16	B	3189	2897	32.24
17	B	1598	1452	18.68
18	B	1581	1437	9.01
19	B	1483	1348	12.86
20	B	1077	979	18.01
21	B	1064	967	2.81
22	B	758	689	1.80
23	B	284	258	1.74
24	B	187	170	0.43

Atom	x (Å)	y (Å)	z (Å)
S1	-0.460	0.924	-0.490
S2	0.460	-0.924	-0.490
C3	0.460	1.824	0.789
C4	-0.460	-1.824	0.789
H5	0.051	2.827	0.806
H6	0.327	1.369	1.761
H7	1.511	1.868	0.539
H8	-0.051	-2.827	0.806
H9	-0.327	-1.369	1.761
H10	-1.511	-1.868	0.539

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.0645	1.8142	3.0310	2.3584	2.4254	2.4150	3.9898	3.2159	3.1552
S2	2.0645		3.0310	1.8142	3.9898	3.2159	3.1552	2.3584	2.4254	2.4150
C3	1.8142	3.0310		3.7624	1.0836	1.0813	1.0805	4.6792	3.4296	4.1921
C4	3.0310	1.8142	3.7624		4.6792	3.4296	4.1921	1.0836	1.0813	1.0805
H5	2.3584	3.9898	1.0836	4.6792		1.7643	1.7674	5.6551	4.3202	4.9546
H6	2.4254	3.2159	1.0813	3.4296	1.7643		1.7723	4.3202	2.8157	3.9175
H7	2.4150	3.1552	1.0805	4.1921	1.7674	1.7723		4.9546	3.9175	4.8040
H8	3.9898	2.3584	4.6792	1.0836	5.6551	4.3202	4.9546		1.7643	1.7674
H9	3.2159	2.4254	3.4296	1.0813	4.3202	2.8157	3.9175	1.7643		1.7723
H10	3.1552	2.4150	4.1921	1.0805	4.9546	3.9175	4.8040	1.7674	1.7723

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.591	S1	C3	H5	106.191
S1	C3	H6	111.249	S1	C3	H7	110.504
S2	S1	C3	102.591	S2	C4	H8	106.191
S2	C4	H9	111.249	S2	C4	H10	110.504
H5	C3	H6	109.165	H5	C3	H7	109.507
H6	C3	H7	110.131	H8	C4	H9	109.165
H8	C4	H10	109.507	H9	C4	H10	110.131

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

using model chemistry: HF/6-311G**

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	-0.013
2	S	-0.013
3	C	-0.378
4	C	-0.378
5	H	0.128
6	H	0.124
7	H	0.139
8	H	0.128
9	H	0.124
10	H	0.139

	x	y	z	Total
	0.000	0.000	2.412	2.412
CHELPG
AIM
ESP

	x	y	z
x	6.957	-0.309	0.000
y	-0.309	10.987	0.000
z	0.000	0.000	7.353

<r²>	156.310
(<r²>)^1/2	12.502

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

using model chemistry: HF/6-311G**

States and conformations

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