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	hartrees
Energy at 0K	-874.892090
Energy at 298.15K	-874.898214
HF Energy	-874.301377
Nuclear repulsion energy	220.391291

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3189	3059	2.57
2	A	3172	3042	5.05
3	A	3067	2941	18.60
4	A	1458	1398	0.86
5	A	1450	1391	5.55
6	A	1331	1276	0.96
7	A	972	933	1.66
8	A	967	927	0.80
9	A	716	687	0.11
10	A	508	487	0.38
11	A	232	222	0.94
12	A	156	149	0.00
13	A	95	91	1.22
14	B	3189	3058	5.83
15	B	3173	3042	5.48
16	B	3065	2939	19.78
17	B	1463	1403	12.79
18	B	1442	1383	9.45
19	B	1321	1267	6.19
20	B	972	932	11.56
21	B	963	924	1.47
22	B	714	684	1.69
23	B	263	252	0.88
24	B	164	157	0.29

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.042	-0.512
S2	0.000	-1.042	-0.512
C3	1.201	1.385	0.824
C4	-1.201	-1.385	0.824
H5	1.300	2.481	0.883
H6	0.830	1.005	1.787
H7	2.173	0.937	0.581
H8	-1.300	-2.481	0.883
H9	-0.830	-1.005	1.787
H10	-2.173	-0.937	0.581

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.0842	1.8292	3.0202	2.3891	2.4445	2.4352	4.0063	3.1881	3.1360
S2	2.0842		3.0202	1.8292	4.0063	3.1881	3.1360	2.3891	2.4445	2.4352
C3	1.8292	3.0202		3.6667	1.1018	1.0993	1.0984	4.6052	3.2807	4.1030
C4	3.0202	1.8292	3.6667		4.6052	3.2807	4.1030	1.1018	1.0993	1.0984
H5	2.3891	4.0063	1.1018	4.6052		1.7937	1.7997	5.6023	4.1840	4.8823
H6	2.4445	3.1881	1.0993	3.2807	1.7937		1.8061	4.1840	2.6065	3.7738
H7	2.4352	3.1360	1.0984	4.1030	1.7997	1.8061		4.8823	3.7738	4.7330
H8	4.0063	2.3891	4.6052	1.1018	5.6023	4.1840	4.8823		1.7937	1.7997
H9	3.1881	2.4445	3.2807	1.0993	4.1840	2.6065	3.7738	1.7937		1.8061
H10	3.1360	2.4352	4.1030	1.0984	4.8823	3.7738	4.7330	1.7997	1.8061

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	100.818	S1	C3	H5	106.546
S1	C3	H6	110.689	S1	C3	H7	110.048
S2	S1	C3	100.818	S2	C4	H8	106.546
S2	C4	H9	110.689	S2	C4	H10	110.048
H5	C3	H6	109.159	H5	C3	H7	109.772
H6	C3	H7	110.539	H8	C4	H9	109.159
H8	C4	H10	109.772	H9	C4	H10	110.539

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

using model chemistry: MP2/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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