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	hartrees
Energy at 0K	-874.853360
Energy at 298.15K	-874.859599
HF Energy	-874.257026
Nuclear repulsion energy	221.552955

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3243	3040	5.09
2	A	3229	3027	8.53
3	A	3133	2937	19.63
4	A	1540	1444	0.65
5	A	1525	1430	5.28
6	A	1436	1346	2.85
7	A	1029	965	3.85
8	A	1022	958	2.83
9	A	748	701	0.07
10	A	524	491	0.10
11	A	241	226	1.49
12	A	160	150	0.00
13	A	97	91	1.15
14	B	3242	3040	11.77
15	B	3228	3027	7.97
16	B	3131	2936	18.83
17	B	1543	1447	14.29
18	B	1518	1423	7.55
19	B	1428	1339	6.66
20	B	1027	963	15.14
21	B	1020	957	2.12
22	B	743	697	1.08
23	B	271	254	1.16
24	B	171	160	0.34

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.033	-0.502
S2	0.000	-1.033	-0.502
C3	1.204	1.407	0.806
C4	-1.204	-1.407	0.806
H5	1.293	2.491	0.849
H6	0.864	1.045	1.774
H7	2.174	0.977	0.573
H8	-1.293	-2.491	0.849
H9	-0.864	-1.045	1.774
H10	-2.174	-0.977	0.573

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.0653	1.8168	3.0185	2.3714	2.4343	2.4262	3.9893	3.2002	3.1501
S2	2.0653		3.0185	1.8168	3.9893	3.2002	3.1501	2.3714	2.4343	2.4262
C3	1.8168	3.0185		3.7032	1.0891	1.0875	1.0866	4.6293	3.3501	4.1415
C4	3.0185	1.8168	3.7032		4.6293	3.3501	4.1415	1.0891	1.0875	1.0866
H5	2.3714	3.9893	1.0891	4.6293		1.7697	1.7738	5.6135	4.2440	4.9121
H6	2.4343	3.2002	1.0875	3.3501	1.7697		1.7787	4.2440	2.7117	3.8425
H7	2.4262	3.1501	1.0866	4.1415	1.7738	1.7787		4.9121	3.8425	4.7680
H8	3.9893	2.3714	4.6293	1.0891	5.6135	4.2440	4.9121		1.7697	1.7738
H9	3.2002	2.4343	3.3501	1.0875	4.2440	2.7117	3.8425	1.7697		1.7787
H10	3.1501	2.4262	4.1415	1.0866	4.9121	3.8425	4.7680	1.7738	1.7787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	101.880	S1	C3	H5	106.691
S1	C3	H6	111.410	S1	C3	H7	110.840
S2	S1	C3	101.880	S2	C4	H8	106.691
S2	C4	H9	111.410	S2	C4	H10	110.840
H5	C3	H6	108.787	H5	C3	H7	109.227
H6	C3	H7	109.797	H8	C4	H9	108.787
H8	C4	H10	109.227	H9	C4	H10	109.797

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

using model chemistry: CCD/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: CCD/6-31G**

States and conformations

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