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	hartrees
Energy at 0K	-875.055804
Energy at 298.15K	-875.061994
HF Energy	-874.347137
Nuclear repulsion energy	223.629397

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3196	3041	2.68
2	A	3180	3026	4.93
3	A	3082	2932	15.22
4	A	1488	1416	0.25
5	A	1476	1404	6.87
6	A	1356	1290	0.34
7	A	983	935	2.09
8	A	973	925	1.02
9	A	729	694	0.00
10	A	535	509	0.43
11	A	239	227	1.07
12	A	154	147	0.00
13	A	103	98	1.12
14	B	3196	3041	4.92
15	B	3181	3027	3.36
16	B	3081	2931	18.74
17	B	1493	1420	14.39
18	B	1470	1398	9.94
19	B	1347	1282	4.99
20	B	980	933	11.61
21	B	972	925	1.53
22	B	725	690	2.40
23	B	269	256	0.76
24	B	169	161	0.26

Atom	x (Å)	y (Å)	z (Å)
S1	-0.438	0.920	-0.515
S2	0.438	-0.920	-0.515
C3	0.438	1.752	0.829
C4	-0.438	-1.752	0.829
H5	0.047	2.768	0.859
H6	0.243	1.264	1.781
H7	1.504	1.775	0.627
H8	-0.047	-2.768	0.859
H9	-0.243	-1.264	1.781
H10	-1.504	-1.775	0.627

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.0380	1.8070	2.9912	2.3531	2.4193	2.4096	3.9552	3.1752	3.1155
S2	2.0380		2.9912	1.8070	3.9552	3.1752	3.1155	2.3531	2.4193	2.4096
C3	1.8070	2.9912		3.6111	1.0891	1.0865	1.0859	4.5458	3.2351	4.0309
C4	2.9912	1.8070	3.6111		4.5458	3.2351	4.0309	1.0891	1.0865	1.0859
H5	2.3531	3.9552	1.0891	4.5458		1.7747	1.7784	5.5370	4.1468	4.8062
H6	2.4193	3.1752	1.0865	3.2351	1.7747		1.7838	4.1468	2.5752	3.6907
H7	2.4096	3.1155	1.0859	4.0309	1.7784	1.7838		4.8062	3.6907	4.6531
H8	3.9552	2.3531	4.5458	1.0891	5.5370	4.1468	4.8062		1.7747	1.7784
H9	3.1752	2.4193	3.2351	1.0865	4.1468	2.5752	3.6907	1.7747		1.7838
H10	3.1155	2.4096	4.0309	1.0859	4.8062	3.6907	4.6531	1.7784	1.7838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	101.978	S1	C3	H5	106.014
S1	C3	H6	111.008	S1	C3	H7	110.306
S2	S1	C3	101.978	S2	C4	H8	106.014
S2	C4	H9	111.008	S2	C4	H10	110.306
H5	C3	H6	109.319	H5	C3	H7	109.699
H6	C3	H7	110.394	H8	C4	H9	109.319
H8	C4	H10	109.699	H9	C4	H10	110.394

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

using model chemistry: MP2/Def2TZVPP

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

using model chemistry: MP2/Def2TZVPP

States and conformations

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