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	hartrees
Energy at 0K	-873.676574
Energy at 298.15K	-873.682541
Nuclear repulsion energy	221.996300

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3097	3050	0.67
2	A	3082	3036	5.02
3	A	2984	2939	15.67
4	A	1402	1381	0.46
5	A	1391	1371	12.64
6	A	1295	1276	0.25
7	A	938	924	5.04
8	A	931	917	2.24
9	A	704	693	0.14
10	A	508	500	0.57
11	A	225	222	1.91
12	A	134	132	0.11
13	A	85	84	1.11
14	B	3097	3050	2.70
15	B	3084	3038	0.50
16	B	2983	2938	14.17
17	B	1408	1387	31.19
18	B	1384	1364	20.13
19	B	1289	1269	0.35
20	B	939	924	18.05
21	B	927	913	4.11
22	B	704	693	7.54
23	B	253	249	1.66
24	B	161	159	0.57

Atom	x (Å)	y (Å)	z (Å)
S1	-0.446	0.923	-0.502
S2	0.446	-0.923	-0.502
C3	0.446	1.795	0.805
C4	-0.446	-1.795	0.805
H5	0.049	2.824	0.823
H6	0.275	1.337	1.792
H7	1.525	1.831	0.588
H8	-0.049	-2.824	0.823
H9	-0.275	-1.337	1.792
H10	-1.525	-1.831	0.588

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.0513	1.8073	3.0163	2.3695	2.4403	2.4290	3.9947	3.2251	3.1524
S2	2.0513		3.0163	1.8073	3.9947	3.2251	3.1524	2.3695	2.4403	2.4290
C3	1.8073	3.0163		3.6991	1.1034	1.1017	1.1009	4.6455	3.3615	4.1326
C4	3.0163	1.8073	3.6991		4.6455	3.3615	4.1326	1.1034	1.1017	1.1009
H5	2.3695	3.9947	1.1034	4.6455		1.7897	1.7946	5.6490	4.2843	4.9194
H6	2.4403	3.2251	1.1017	3.3615	1.7897		1.8049	4.2843	2.7289	3.8366
H7	2.4290	3.1524	1.1009	4.1326	1.7946	1.8049		4.9194	3.8366	4.7655
H8	3.9947	2.3695	4.6455	1.1034	5.6490	4.2843	4.9194		1.7897	1.7946
H9	3.2251	2.4403	3.3615	1.1017	4.2843	2.7289	3.8366	1.7897		1.8049
H10	3.1524	2.4290	4.1326	1.1009	4.9194	3.8366	4.7655	1.7946	1.8049

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.654	S1	C3	H5	106.473
S1	C3	H6	111.740	S1	C3	H7	110.934
S2	S1	C3	102.654	S2	C4	H8	106.473
S2	C4	H9	111.740	S2	C4	H10	110.934
H5	C3	H6	108.511	H5	C3	H7	109.005
H6	C3	H7	110.052	H8	C4	H9	108.511
H8	C4	H10	109.005	H9	C4	H10	110.052

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

using model chemistry: LSDA/6-31+G**

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	0.065
2	S	0.065
3	C	-0.739
4	C	-0.739
5	H	0.221
6	H	0.218
7	H	0.235
8	H	0.221
9	H	0.218
10	H	0.235

	x	y	z	Total
	0.000	0.000	2.271	2.271
CHELPG
AIM
ESP

	x	y	z
x	8.219	-0.056	0.000
y	-0.056	12.431	0.000
z	0.000	0.000	8.612

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31+G**

States and conformations

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