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	hartrees
Energy at 0K	-874.257358
Energy at 298.15K	-874.263750
Nuclear repulsion energy	221.748087

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3314	2991	7.94
2	A	3297	2976	9.99
3	A	3209	2896	25.83
4	A	1608	1451	0.29
5	A	1597	1441	6.57
6	A	1501	1355	4.32
7	A	1080	974	6.15
8	A	1076	972	0.43
9	A	773	698	1.35
10	A	557	503	0.29
11	A	254	229	1.72
12	A	168	152	0.01
13	A	102	92	1.74
14	B	3313	2991	14.10
15	B	3295	2974	8.59
16	B	3207	2895	30.06
17	B	1612	1455	16.61
18	B	1591	1436	9.09
19	B	1493	1348	10.80
20	B	1083	978	15.70
21	B	1068	964	1.39
22	B	765	691	1.36
23	B	285	257	1.41
24	B	177	160	0.44

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.026	-0.491
S2	0.000	-1.026	-0.491
C3	1.217	1.440	0.790
C4	-1.217	-1.440	0.790
H5	1.295	2.521	0.798
H6	0.892	1.104	1.765
H7	2.181	1.012	0.553
H8	-1.295	-2.521	0.798
H9	-0.892	-1.104	1.765
H10	-2.181	-1.012	0.553

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.0528	1.8148	3.0340	2.3602	2.4275	2.4178	3.9899	3.2286	3.1625
S2	2.0528		3.0340	1.8148	3.9899	3.2286	3.1625	2.3602	2.4275	2.4178
C3	1.8148	3.0340		3.7705	1.0835	1.0814	1.0806	4.6900	3.4450	4.1966
C4	3.0340	1.8148	3.7705		4.6900	3.4450	4.1966	1.0835	1.0814	1.0806
H5	2.3602	3.9899	1.0835	4.6900		1.7625	1.7660	5.6677	4.3423	4.9619
H6	2.4275	3.2286	1.0814	3.4450	1.7625		1.7714	4.3423	2.8381	3.9225
H7	2.4178	3.1625	1.0806	4.1966	1.7660	1.7714		4.9619	3.9225	4.8081
H8	3.9899	2.3602	4.6900	1.0835	5.6677	4.3423	4.9619		1.7625	1.7660
H9	3.2286	2.4275	3.4450	1.0814	4.3423	2.8381	3.9225	1.7625		1.7714
H10	3.1625	2.4178	4.1966	1.0806	4.9619	3.9225	4.8081	1.7660	1.7714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	103.169	S1	C3	H5	106.290
S1	C3	H6	111.362	S1	C3	H7	110.669
S2	S1	C3	103.169	S2	C4	H8	106.290
S2	C4	H9	111.362	S2	C4	H10	110.669
H5	C3	H6	109.005	H5	C3	H7	109.377
H6	C3	H7	110.041	H8	C4	H9	109.005
H8	C4	H10	109.377	H9	C4	H10	110.041

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

using model chemistry: HF/6-31G**

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	CHELPG
1	S	0.025	-0.061
2	S	0.025	0.056
3	C	-0.490	0.085
4	C	-0.490	0.065
5	H	0.154	-0.061
6	H	0.147	0.056
7	H	0.163	0.085
8	H	0.154	0.065
9	H	0.147	-0.146
10	H	0.163	-0.146

	x	y	z
x	10.540	0.000	-0.381
y	0.000	6.844	0.000
z	-0.381	0.000	6.460

<r²>	156.152
(<r²>)^1/2	12.496

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

using model chemistry: HF/6-31G**

States and conformations

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