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	hartrees
Energy at 0K	-874.809069
Energy at 298.15K	-874.815265
HF Energy	-874.246828
Nuclear repulsion energy	220.992258

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3186	3034	4.70
2	A	3170	3019	8.40
3	A	3083	2936	19.56
4	A	1527	1454	0.51
5	A	1514	1441	6.78
6	A	1426	1358	1.60
7	A	1025	976	5.03
8	A	1019	970	2.70
9	A	738	702	0.11
10	A	520	495	0.14
11	A	240	228	1.49
12	A	156	149	0.00
13	A	98	93	1.29
14	B	3185	3033	10.97
15	B	3170	3019	7.15
16	B	3082	2935	19.56
17	B	1530	1457	16.99
18	B	1507	1435	9.74
19	B	1419	1351	4.15
20	B	1025	976	17.36
21	B	1016	968	2.80
22	B	733	698	1.16
23	B	270	257	1.19
24	B	168	160	0.39

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.033	-0.503
S2	0.000	-1.033	-0.503
C3	1.207	1.414	0.807
C4	-1.207	-1.414	0.807
H5	1.297	2.505	0.845
H6	0.865	1.054	1.782
H7	2.183	0.980	0.573
H8	-1.297	-2.505	0.845
H9	-0.865	-1.054	1.782
H10	-2.183	-0.980	0.573

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.0667	1.8212	3.0267	2.3803	2.4429	2.4341	4.0027	3.2129	3.1584
S2	2.0667		3.0267	1.8212	4.0027	3.2129	3.1584	2.3803	2.4429	2.4341
C3	1.8212	3.0267		3.7183	1.0960	1.0942	1.0932	4.6512	3.3667	4.1568
C4	3.0267	1.8212	3.7183		4.6512	3.3667	4.1568	1.0960	1.0942	1.0932
H5	2.3803	4.0027	1.0960	4.6512		1.7809	1.7849	5.6426	4.2686	4.9329
H6	2.4429	3.2129	1.0942	3.3667	1.7809		1.7898	4.2686	2.7269	3.8588
H7	2.4341	3.1584	1.0932	4.1568	1.7849	1.7898		4.9329	3.8588	4.7858
H8	4.0027	2.3803	4.6512	1.0960	5.6426	4.2686	4.9329		1.7809	1.7849
H9	3.2129	2.4429	3.3667	1.0942	4.2686	2.7269	3.8588	1.7809		1.7898
H10	3.1584	2.4341	4.1568	1.0932	4.9329	3.8588	4.7858	1.7849	1.7898

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.058	S1	C3	H5	106.708
S1	C3	H6	111.393	S1	C3	H7	110.784
S2	S1	C3	102.058	S2	C4	H8	106.708
S2	C4	H9	111.393	S2	C4	H10	110.784
H5	C3	H6	108.813	H5	C3	H7	109.239
H6	C3	H7	109.817	H8	C4	H9	108.813
H8	C4	H10	109.239	H9	C4	H10	109.817

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

using model chemistry: QCISD/6-31G*

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

using model chemistry: QCISD/6-31G*

States and conformations

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