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	hartrees
Energy at 0K	-873.671677
Energy at 298.15K	-873.677615
Nuclear repulsion energy	222.143413

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3107	3049	0.60
2	A	3090	3032	5.98
3	A	2991	2935	12.86
4	A	1413	1387	0.15
5	A	1402	1375	10.97
6	A	1299	1274	0.01
7	A	943	925	6.49
8	A	935	917	3.62
9	A	706	692	0.01
10	A	512	502	0.36
11	A	224	220	2.16
12	A	128	126	0.25
13	A	75	73	0.86
14	B	3108	3050	3.11
15	B	3092	3034	0.33
16	B	2990	2934	8.83
17	B	1420	1393	26.01
18	B	1394	1368	15.66
19	B	1291	1266	0.03
20	B	944	926	23.48
21	B	932	915	6.26
22	B	705	692	6.52
23	B	254	249	2.24
24	B	158	155	0.52

Atom	x (Å)	y (Å)	z (Å)
S1	-0.445	0.924	-0.505
S2	0.445	-0.924	-0.505
C3	0.445	1.788	0.810
C4	-0.445	-1.788	0.810
H5	0.038	2.812	0.841
H6	0.278	1.314	1.790
H7	1.522	1.834	0.591
H8	-0.038	-2.812	0.841
H9	-0.278	-1.314	1.790
H10	-1.522	-1.834	0.591

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.0507	1.8072	3.0136	2.3686	2.4372	2.4281	3.9919	3.2097	3.1570
S2	2.0507		3.0136	1.8072	3.9919	3.2097	3.1570	2.3686	2.4372	2.4281
C3	1.8072	3.0136		3.6847	1.1027	1.1012	1.1000	4.6255	3.3324	4.1272
C4	3.0136	1.8072	3.6847		4.6255	3.3324	4.1272	1.1027	1.1012	1.1000
H5	2.3686	3.9919	1.1027	4.6255		1.7896	1.7948	5.6251	4.2459	4.9075
H6	2.4372	3.2097	1.1012	3.3324	1.7896		1.8042	4.2459	2.6864	3.8194
H7	2.4281	3.1570	1.1000	4.1272	1.7948	1.8042		4.9075	3.8194	4.7664
H8	3.9919	2.3686	4.6255	1.1027	5.6251	4.2459	4.9075		1.7896	1.7948
H9	3.2097	2.4372	3.3324	1.1012	4.2459	2.6864	3.8194	1.7896		1.8042
H10	3.1570	2.4281	4.1272	1.1000	4.9075	3.8194	4.7664	1.7948	1.8042

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.549	S1	C3	H5	106.440
S1	C3	H6	111.543	S1	C3	H7	110.921
S2	S1	C3	102.549	S2	C4	H8	106.440
S2	C4	H9	111.543	S2	C4	H10	110.921
H5	C3	H6	108.586	H5	C3	H7	109.133
H6	C3	H7	110.099	H8	C4	H9	108.586
H8	C4	H10	109.133	H9	C4	H10	110.099

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

using model chemistry: LSDA/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
1	S	0.023
2	S	0.023
3	C	-0.579
4	C	-0.579
5	H	0.185
6	H	0.177
7	H	0.194
8	H	0.185
9	H	0.177
10	H	0.194

	x	y	z	Total
	0.000	0.000	2.344	2.344
CHELPG
AIM
ESP

	x	y	z
x	6.686	-0.241	0.000
y	-0.241	11.292	0.000
z	0.000	0.000	7.220

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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