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	hartrees
Energy at 0K	-873.777466
Energy at 298.15K	-873.783417
Nuclear repulsion energy	223.429754

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3077	3043	0.64
2	A	3061	3027	4.94
3	A	2969	2936	12.76
4	A	1390	1375	0.37
5	A	1377	1362	9.07
6	A	1264	1250	0.31
7	A	926	916	3.50
8	A	917	907	1.40
9	A	702	694	0.16
10	A	520	514	0.60
11	A	226	223	1.18
12	A	124	123	0.04
13	A	88	87	1.10
14	B	3077	3044	2.50
15	B	3063	3030	0.46
16	B	2968	2935	12.83
17	B	1395	1380	21.27
18	B	1371	1356	15.36
19	B	1258	1244	0.87
20	B	924	914	14.37
21	B	915	905	3.30
22	B	702	694	7.87
23	B	256	253	1.22
24	B	148	147	0.38

Atom	x (Å)	y (Å)	z (Å)
S1	-0.445	0.914	-0.497
S2	0.445	-0.914	-0.497
C3	0.445	1.789	0.799
C4	-0.445	-1.789	0.799
H5	0.050	2.816	0.807
H6	0.268	1.334	1.782
H7	1.518	1.814	0.577
H8	-0.050	-2.816	0.807
H9	-0.268	-1.334	1.782
H10	-1.518	-1.814	0.577

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.0321	1.7991	2.9973	2.3590	2.4246	2.4124	3.9705	3.2058	3.1224
S2	2.0321		2.9973	1.7991	3.9705	3.2058	3.1224	2.3590	2.4246	2.4124
C3	1.7991	2.9973		3.6867	1.0998	1.0975	1.0966	4.6310	3.3505	4.1091
C4	2.9973	1.7991	3.6867		4.6310	3.3505	4.1091	1.0998	1.0975	1.0966
H5	2.3590	3.9705	1.0998	4.6310		1.7866	1.7919	5.6320	4.2742	4.8937
H6	2.4246	3.2058	1.0975	3.3505	1.7866		1.8014	4.2742	2.7211	3.8146
H7	2.4124	3.1224	1.0966	4.1091	1.7919	1.8014		4.8937	3.8146	4.7315
H8	3.9705	2.3590	4.6310	1.0998	5.6320	4.2742	4.8937		1.7866	1.7919
H9	3.2058	2.4246	3.3505	1.0975	4.2742	2.7211	3.8146	1.7866		1.8014
H10	3.1224	2.4124	4.1091	1.0966	4.8937	3.8146	4.7315	1.7919	1.8014

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.779	S1	C3	H5	106.419
S1	C3	H6	111.343	S1	C3	H7	110.477
S2	S1	C3	102.779	S2	C4	H8	106.419
S2	C4	H9	111.343	S2	C4	H10	110.477
H5	C3	H6	108.793	H5	C3	H7	109.335
H6	C3	H7	110.365	H8	C4	H9	108.793
H8	C4	H10	109.335	H9	C4	H10	110.365

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

using model chemistry: LSDA/cc-pVTZ

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	-0.046
2	S	-0.046
3	C	-0.351
4	C	-0.351
5	H	0.125
6	H	0.131
7	H	0.141
8	H	0.125
9	H	0.131
10	H	0.141

	x	y	z	Total
	0.000	0.000	2.070	2.070
CHELPG
AIM
ESP

	x	y	z
x	7.923	0.011	0.000
y	0.011	12.742	0.000
z	0.000	0.000	8.616

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/cc-pVTZ

States and conformations

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