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	hartrees
Energy at 0K	-870.255848
Energy at 298.15K	-870.261583
HF Energy	-869.904694
Nuclear repulsion energy	207.853136

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3174	3077	4.04
2	A	3152	3055	5.24
3	A	3064	2970	14.42
4	A	1546	1498	0.12
5	A	1538	1491	9.22
6	A	1401	1357	3.06
7	A	992	961	2.86
8	A	989	959	3.70
9	A	618	599	1.84
10	A	400	388	0.01
11	A	191	185	0.81
12	A	132	128	0.00
13	A	76	73	1.53
14	B	3174	3077	6.97
15	B	3152	3055	2.18
16	B	3064	2969	9.73
17	B	1549	1501	18.33
18	B	1533	1486	11.83
19	B	1393	1350	10.36
20	B	996	965	14.03
21	B	987	956	3.09
22	B	616	597	1.27
23	B	224	217	1.44
24	B	144	139	0.43

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.156	-0.535
S2	0.000	-1.156	-0.535
C3	1.283	1.427	0.870
C4	-1.283	-1.427	0.870
H5	1.395	2.513	0.964
H6	0.898	1.001	1.800
H7	2.227	0.962	0.580
H8	-1.395	-2.513	0.964
H9	-0.898	-1.001	1.800
H10	-2.227	-0.962	0.580

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.3120	1.9219	3.2084	2.4567	2.5070	2.4987	4.2021	3.3033	3.2701
S2	2.3120		3.2084	1.9219	4.2021	3.3033	3.2701	2.4567	2.5070	2.4987
C3	1.9219	3.2084		3.8379	1.0958	1.0933	1.0922	4.7652	3.3934	4.2562
C4	3.2084	1.9219	3.8379		4.7652	3.3934	4.2562	1.0958	1.0933	1.0922
H5	2.4567	4.2021	1.0958	4.7652		1.7987	1.8015	5.7491	4.2784	5.0349
H6	2.5070	3.3033	1.0933	3.3934	1.7987		1.8048	4.2784	2.6889	3.8871
H7	2.4987	3.2701	1.0922	4.2562	1.8015	1.8048		5.0349	3.8871	4.8529
H8	4.2021	2.4567	4.7652	1.0958	5.7491	4.2784	5.0349		1.7987	1.8015
H9	3.3033	2.5070	3.3934	1.0933	4.2784	2.6889	3.8871	1.7987		1.8048
H10	3.2701	2.4987	4.2562	1.0922	5.0349	3.8871	4.8529	1.8015	1.8048

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	98.117	S1	C3	H5	105.713
S1	C3	H6	109.404	S1	C3	H7	108.857
S2	S1	C3	98.117	S2	C4	H8	105.713
S2	C4	H9	109.404	S2	C4	H10	108.857
H5	C3	H6	110.501	H5	C3	H7	110.848
H6	C3	H7	111.342	H8	C4	H9	110.501
H8	C4	H10	110.848	H9	C4	H10	111.342

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

using model chemistry: QCISD/3-21G

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/3-21G

States and conformations

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