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	hartrees
Energy at 0K	-874.279185
Energy at 298.15K	-874.285563
Nuclear repulsion energy	222.182936

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3296	2985	7.26
2	A	3277	2967	8.25
3	A	3191	2889	21.66
4	A	1598	1447	0.31
5	A	1585	1435	5.23
6	A	1481	1341	3.87
7	A	1059	959	3.83
8	A	1059	959	0.12
9	A	764	692	1.01
10	A	556	504	0.44
11	A	253	229	1.26
12	A	167	151	0.03
13	A	104	94	1.69
14	B	3295	2984	11.21
15	B	3275	2966	8.34
16	B	3189	2887	29.89
17	B	1602	1450	13.28
18	B	1580	1430	7.42
19	B	1472	1333	14.37
20	B	1064	963	14.34
21	B	1049	950	1.21
22	B	757	685	1.37
23	B	284	257	1.08
24	B	176	159	0.37

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.022	-0.489
S2	0.000	-1.022	-0.489
C3	1.215	1.443	0.787
C4	-1.215	-1.443	0.787
H5	1.289	2.525	0.789
H6	0.890	1.110	1.763
H7	2.179	1.016	0.549
H8	-1.289	-2.525	0.789
H9	-0.890	-1.110	1.763
H10	-2.179	-1.016	0.549

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.0445	1.8119	3.0306	2.3564	2.4230	2.4134	3.9847	3.2261	3.1590
S2	2.0445		3.0306	1.8119	3.9847	3.2261	3.1590	2.3564	2.4230	2.4134
C3	1.8119	3.0306		3.7736	1.0842	1.0814	1.0808	4.6926	3.4498	4.1984
C4	3.0306	1.8119	3.7736		4.6926	3.4498	4.1984	1.0842	1.0814	1.0808
H5	2.3564	3.9847	1.0842	4.6926		1.7643	1.7680	5.6703	4.3484	4.9624
H6	2.4230	3.2261	1.0814	3.4498	1.7643		1.7734	4.3484	2.8446	3.9256
H7	2.4134	3.1590	1.0808	4.1984	1.7680	1.7734		4.9624	3.9256	4.8084
H8	3.9847	2.3564	4.6926	1.0842	5.6703	4.3484	4.9624		1.7643	1.7680
H9	3.2261	2.4230	3.4498	1.0814	4.3484	2.8446	3.9256	1.7643		1.7734
H10	3.1590	2.4134	4.1984	1.0808	4.9624	3.9256	4.8084	1.7680	1.7734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	103.439	S1	C3	H5	106.173
S1	C3	H6	111.225	S1	C3	H7	110.531
S2	S1	C3	103.439	S2	C4	H8	106.173
S2	C4	H9	111.225	S2	C4	H10	110.531
H5	C3	H6	109.111	H5	C3	H7	109.496
H6	C3	H7	110.206	H8	C4	H9	109.111
H8	C4	H10	109.496	H9	C4	H10	110.206

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

using model chemistry: HF/6-31G(2df,p)

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	-0.056
2	S	-0.056
3	C	-0.450
4	C	-0.450
5	H	0.169
6	H	0.161
7	H	0.175
8	H	0.169
9	H	0.161
10	H	0.175

	x	y	z
x	7.696	1.509	0.000
y	1.509	10.357	0.000
z	0.000	0.000	7.438

<r²>	155.504
(<r²>)^1/2	12.470

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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