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	hartrees
Energy at 0K	-34.235592
Energy at 298.15K	-34.241682
Nuclear repulsion energy	62.960164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3377	3044	24.39
2	A	3363	3032	19.01
3	A	3245	2925	48.15
4	A	1608	1449	0.15
5	A	1596	1439	11.19
6	A	1502	1354	9.42
7	A	1085	978	7.65
8	A	1080	974	2.74
9	A	716	646	4.77
10	A	490	442	0.06
11	A	223	201	1.85
12	A	150	135	0.02
13	A	74	67	3.24
14	B	3376	3043	35.65
15	B	3362	3030	19.81
16	B	3243	2924	67.48
17	B	1610	1451	21.94
18	B	1594	1437	12.48
19	B	1495	1348	22.93
20	B	1085	978	24.10
21	B	1076	970	2.22
22	B	710	640	6.05
23	B	245	221	2.50
24	B	157	141	0.57

Atom	x (Å)	y (Å)	z (Å)
S1	-0.999	0.461	-0.485
S2	0.999	-0.461	-0.485
C3	-0.797	1.832	0.786
C4	0.797	-1.832	0.786
H5	-1.745	2.361	0.799
H6	-0.590	1.414	1.765
H7	0.000	2.499	0.480
H8	1.745	-2.361	0.799
H9	0.590	-1.414	1.765
H10	0.000	-2.499	0.480

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.2009	1.8803	3.1779	2.4118	2.4776	2.4663	4.1407	3.3325	3.2693
S2	2.2009		3.1779	1.8803	4.1407	3.3325	3.2693	2.4118	2.4776	2.4663
C3	1.8803	3.1779		3.9958	1.0859	1.0844	1.0834	4.9038	3.6636	4.4140
C4	3.1779	1.8803	3.9958		4.9038	3.6636	4.4140	1.0859	1.0844	1.0834
H5	2.4118	4.1407	1.0859	4.9038		1.7787	1.7796	5.8725	4.5435	5.1737
H6	2.4776	3.3325	1.0844	3.6636	1.7787		1.7821	4.5435	3.0652	4.1607
H7	2.4663	3.2693	1.0834	4.4140	1.7796	1.7821		5.1737	4.1607	4.9975
H8	4.1407	2.4118	4.9038	1.0859	5.8725	4.5435	5.1737		1.7787	1.7796
H9	3.3325	2.4776	3.6636	1.0844	4.5435	3.0652	4.1607	1.7787		1.7821
H10	3.2693	2.4663	4.4140	1.0834	5.1737	4.1607	4.9975	1.7796	1.7821

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	101.990	S1	C3	H5	105.650
S1	C3	H6	110.479	S1	C3	H7	109.700
S2	S1	C3	101.990	S2	C4	H8	105.650
S2	C4	H9	110.479	S2	C4	H10	109.700
H5	C3	H6	110.077	H5	C3	H7	110.239
H6	C3	H7	110.587	H8	C4	H9	110.077
H8	C4	H10	110.239	H9	C4	H10	110.587

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

using model chemistry: HF/CEP-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	-0.010
2	S	-0.010
3	C	-0.486
4	C	-0.486
5	H	0.165
6	H	0.156
7	H	0.175
8	H	0.165
9	H	0.156
10	H	0.175

	x	y	z
x	9.207	-3.076	0.000
y	-3.076	9.410	0.000
z	0.000	0.000	6.407

<r²>	120.722
(<r²>)^1/2	10.987

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

using model chemistry: HF/CEP-31G

States and conformations

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