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	hartrees
Energy at 0K	-864.664583
Energy at 298.15K	-864.670917
Nuclear repulsion energy	222.671132

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3742	3055	0.26
2	A	3732	3047	3.28
3	A	3551	2899	0.94
4	A	1835	1498	0.29
5	A	1825	1490	3.42
6	A	1706	1393	2.56
7	A	1176	960	5.81
8	A	1168	954	0.33
9	A	940	767	0.01
10	A	680	556	0.12
11	A	277	226	1.67
12	A	156	127	0.06
13	A	88	72	0.44
14	B	3742	3055	0.59
15	B	3732	3047	2.15
16	B	3550	2899	0.96
17	B	1836	1499	7.60
18	B	1822	1488	4.06
19	B	1695	1384	27.56
20	B	1175	959	12.42
21	B	1162	949	0.31
22	B	939	767	0.79
23	B	312	255	1.64
24	B	161	131	0.14

Atom	x (Å)	y (Å)	z (Å)
S1	-0.479	0.915	-0.484
S2	0.479	-0.915	-0.484
C3	0.479	1.783	0.771
C4	-0.479	-1.783	0.771
H5	0.086	2.791	0.859
H6	0.406	1.311	1.748
H7	1.531	1.855	0.508
H8	-0.086	-2.791	0.859
H9	-0.406	-1.311	1.748
H10	-1.531	-1.855	0.508

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.0650	1.8022	2.9757	2.3756	2.4330	2.4302	3.9614	3.1526	3.1239
S2	2.0650		2.9757	1.8022	3.9614	3.1526	3.1239	2.3756	2.4330	2.4302
C3	1.8022	2.9757		3.6928	1.0857	1.0868	1.0866	4.6102	3.3629	4.1644
C4	2.9757	1.8022	3.6928		4.6102	3.3629	4.1644	1.0857	1.0868	1.0866
H5	2.3756	3.9614	1.0857	4.6102		1.7563	1.7576	5.5855	4.2263	4.9316
H6	2.4330	3.1526	1.0868	3.3629	1.7563		1.7601	4.2263	2.7446	3.9125
H7	2.4302	3.1239	1.0866	4.1644	1.7576	1.7601		4.9316	3.9125	4.8094
H8	3.9614	2.3756	4.6102	1.0857	5.5855	4.2263	4.9316		1.7563	1.7576
H9	3.1526	2.4330	3.3629	1.0868	4.2263	2.7446	3.9125	1.7563		1.7601
H10	3.1239	2.4302	4.1644	1.0866	4.9316	3.9125	4.8094	1.7576	1.7601

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	100.393	S1	C3	H5	108.111
S1	C3	H6	112.359	S1	C3	H7	112.156
S2	S1	C3	100.393	S2	C4	H8	108.111
S2	C4	H9	112.359	S2	C4	H10	112.156
H5	C3	H6	107.879	H5	C3	H7	108.006
H6	C3	H7	108.158	H8	C4	H9	107.879
H8	C4	H10	108.006	H9	C4	H10	108.158

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

using model chemistry: HF/STO-3G

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	0.075
2	S	0.075
3	C	-0.274
4	C	-0.274
5	H	0.071
6	H	0.062
7	H	0.067
8	H	0.071
9	H	0.062
10	H	0.067

	x	y	z	Total
	0.000	0.000	1.133	1.133
CHELPG
AIM
ESP

	x	y	z
x	2.757	-0.120	0.000
y	-0.120	6.117	0.000
z	0.000	0.000	2.961

<r²>	151.202
(<r²>)^1/2	12.296

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

using model chemistry: HF/STO-3G

States and conformations

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