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	hartrees
Energy at 0K	-871.722569
Energy at 298.15K	-871.728329
Nuclear repulsion energy	210.901046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3208	3084	3.92
2	A	3184	3061	4.98
3	A	3087	2967	10.90
4	A	1525	1466	0.30
5	A	1520	1461	14.01
6	A	1389	1335	0.47
7	A	998	959	3.53
8	A	991	952	7.09
9	A	648	623	1.69
10	A	433	416	0.00
11	A	195	188	1.16
12	A	115	111	0.06
13	A	75	72	1.89
14	B	3208	3084	3.53
15	B	3184	3060	0.42
16	B	3086	2966	7.03
17	B	1530	1471	29.68
18	B	1514	1456	20.12
19	B	1382	1329	2.45
20	B	1001	962	22.70
21	B	987	949	5.21
22	B	647	621	1.55
23	B	225	216	2.07
24	B	133	128	0.68

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.128	-0.515
S2	0.000	-1.128	-0.515
C3	1.290	1.428	0.835
C4	-1.290	-1.428	0.835
H5	1.425	2.513	0.876
H6	0.920	1.058	1.792
H7	2.223	0.939	0.553
H8	-1.425	-2.513	0.876
H9	-0.920	-1.058	1.792
H10	-2.223	-0.939	0.553

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.2561	1.8915	3.1659	2.4258	2.4842	2.4727	4.1503	3.3081	3.2175
S2	2.2561		3.1659	1.8915	4.1503	3.3081	3.2175	2.4258	2.4842	2.4727
C3	1.8915	3.1659		3.8499	1.0940	1.0905	1.0900	4.7867	3.4615	4.2458
C4	3.1659	1.8915	3.8499		4.7867	3.4615	4.2458	1.0940	1.0905	1.0900
H5	2.4258	4.1503	1.0940	4.7867		1.7921	1.7939	5.7783	4.3692	5.0329
H6	2.4842	3.3081	1.0905	3.4615	1.7921		1.8015	4.3692	2.8039	3.9243
H7	2.4727	3.2175	1.0900	4.2458	1.7939	1.8015		5.0329	3.9243	4.8257
H8	4.1503	2.4258	4.7867	1.0940	5.7783	4.3692	5.0329		1.7921	1.7939
H9	3.3081	2.4842	3.4615	1.0905	4.3692	2.8039	3.9243	1.7921		1.8015
H10	3.2175	2.4727	4.2458	1.0900	5.0329	3.9243	4.8257	1.7939	1.8015

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	99.137	S1	C3	H5	105.559
S1	C3	H6	109.899	S1	C3	H7	109.087
S2	S1	C3	99.137	S2	C4	H8	105.559
S2	C4	H9	109.899	S2	C4	H10	109.087
H5	C3	H6	110.246	H5	C3	H7	110.456
H6	C3	H7	111.421	H8	C4	H9	110.246
H8	C4	H10	110.456	H9	C4	H10	111.421

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

using model chemistry: B3PW91/3-21G

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	0.079
2	S	0.079
3	C	-0.861
4	C	-0.861
5	H	0.260
6	H	0.253
7	H	0.269
8	H	0.260
9	H	0.253
10	H	0.269

<r²>	167.663
(<r²>)^1/2	12.948

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

using model chemistry: B3PW91/3-21G

States and conformations

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