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	hartrees
Energy at 0K	-873.738937
Energy at 298.15K	-873.745005
Nuclear repulsion energy	222.865359

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3076	3026	0.38
2	A	3058	3008	6.68
3	A	2971	2922	21.49
4	A	1411	1388	0.04
5	A	1408	1385	14.60
6	A	1317	1296	0.29
7	A	958	943	8.80
8	A	945	929	4.07
9	A	706	695	0.00
10	A	491	483	0.49
11	A	231	227	2.13
12	A	156	153	0.36
13	A	88	87	0.62
14	B	3077	3026	5.38
15	B	3062	3012	2.03
16	B	2970	2922	13.28
17	B	1419	1395	29.28
18	B	1398	1375	19.31
19	B	1307	1286	0.09
20	B	957	941	29.04
21	B	948	932	11.78
22	B	706	695	6.13
23	B	262	258	2.48
24	B	180	177	0.48

Atom	x (Å)	y (Å)	z (Å)
S1	-0.447	0.928	-0.514
S2	0.447	-0.928	-0.514
C3	0.447	1.740	0.823
C4	-0.447	-1.740	0.823
H5	0.041	2.761	0.908
H6	0.293	1.225	1.783
H7	1.521	1.800	0.600
H8	-0.041	-2.761	0.908
H9	-0.293	-1.225	1.783
H10	-1.521	-1.800	0.600

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.0602	1.8011	2.9844	2.3698	2.4311	2.4230	3.9740	3.1520	3.1362
S2	2.0602		2.9844	1.8011	3.9740	3.1520	3.1362	2.3698	2.4311	2.4230
C3	1.8011	2.9844		3.5933	1.1014	1.1002	1.0985	4.5279	3.2036	4.0561
C4	2.9844	1.8011	3.5933		4.5279	3.2036	4.0561	1.1014	1.1002	1.0985
H5	2.3698	3.9740	1.1014	4.5279		1.7852	1.7911	5.5217	4.0943	4.8301
H6	2.4311	3.1520	1.1002	3.2036	1.7852		1.7989	4.0943	2.5196	3.7203
H7	2.4230	3.1362	1.0985	4.0561	1.7911	1.7989		4.8301	3.7203	4.7125
H8	3.9740	2.3698	4.5279	1.1014	5.5217	4.0943	4.8301		1.7852	1.7911
H9	3.1520	2.4311	3.2036	1.1002	4.0943	2.5196	3.7203	1.7852		1.7989
H10	3.1362	2.4230	4.0561	1.0985	4.8301	3.7203	4.7125	1.7911	1.7989

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	101.020	S1	C3	H5	106.986
S1	C3	H6	111.552	S1	C3	H7	111.030
S2	S1	C3	101.020	S2	C4	H8	106.986
S2	C4	H9	111.552	S2	C4	H10	111.030
H5	C3	H6	108.361	H5	C3	H7	109.009
H6	C3	H7	109.797	H8	C4	H9	108.361
H8	C4	H10	109.009	H9	C4	H10	109.797

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

using model chemistry: LSDA/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	0.070
2	S	0.070
3	C	-0.907
4	C	-0.907
5	H	0.278
6	H	0.271
7	H	0.288
8	H	0.278
9	H	0.271
10	H	0.288

	x	y	z	Total
	0.000	0.000	2.313	2.313
CHELPG
AIM
ESP

	x	y	z
x	7.398	-0.380	0.000
y	-0.380	11.808	0.000
z	0.000	0.000	8.075

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-311G*

States and conformations

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