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	hartrees
Energy at 0K	-34.342531
Energy at 298.15K	-34.348887
Nuclear repulsion energy	64.782853

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3349	3007	20.07
2	A	3331	2991	17.67
3	A	3242	2911	44.69
4	A	1607	1443	0.15
5	A	1595	1433	5.52
6	A	1497	1344	9.77
7	A	1068	959	3.27
8	A	1064	955	2.03
9	A	773	694	1.68
10	A	563	506	0.44
11	A	250	225	1.62
12	A	169	151	0.01
13	A	99	89	1.88
14	B	3348	3006	37.03
15	B	3329	2990	31.50
16	B	3240	2909	61.26
17	B	1610	1445	14.41
18	B	1591	1429	7.55
19	B	1488	1336	22.41
20	B	1073	963	15.74
21	B	1055	948	1.16
22	B	766	688	1.81
23	B	280	251	1.35
24	B	177	159	0.40

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.033	-0.490
S2	0.000	-1.033	-0.490
C3	1.241	1.440	0.790
C4	-1.241	-1.440	0.790
H5	1.313	2.527	0.806
H6	0.925	1.087	1.769
H7	2.207	1.015	0.532
H8	-1.313	-2.527	0.806
H9	-0.925	-1.087	1.769
H10	-2.207	-1.015	0.532

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.0667	1.8282	3.0485	2.3743	2.4421	2.4320	4.0104	3.2337	3.1794
S2	2.0667		3.0485	1.8282	4.0104	3.2337	3.1794	2.3743	2.4421	2.4320
C3	1.8282	3.0485		3.8011	1.0899	1.0877	1.0866	4.7180	3.4693	4.2398
C4	3.0485	1.8282	3.8011		4.7180	3.4693	4.2398	1.0899	1.0877	1.0866
H5	2.3743	4.0104	1.0899	4.7180		1.7752	1.7779	5.6961	4.3591	5.0012
H6	2.4421	3.2337	1.0877	3.4693	1.7752		1.7828	4.3591	2.8553	3.9698
H7	2.4320	3.1794	1.0866	4.2398	1.7779	1.7828		5.0012	3.9698	4.8578
H8	4.0104	2.3743	4.7180	1.0899	5.6961	4.3591	5.0012		1.7752	1.7779
H9	3.2337	2.4421	3.4693	1.0877	4.3591	2.8553	3.9698	1.7752		1.7828
H10	3.1794	2.4320	4.2398	1.0866	5.0012	3.9698	4.8578	1.7779	1.7828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.846	S1	C3	H5	106.132
S1	C3	H6	111.201	S1	C3	H7	110.501
S2	S1	C3	102.846	S2	C4	H8	106.132
S2	C4	H9	111.201	S2	C4	H10	110.501
H5	C3	H6	109.214	H5	C3	H7	109.542
H6	C3	H7	110.157	H8	C4	H9	109.214
H8	C4	H10	109.542	H9	C4	H10	110.157

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

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	S	-0.086
2	S	-0.086
3	C	-0.369
4	C	-0.369
5	H	0.147
6	H	0.145
7	H	0.163
8	H	0.147
9	H	0.145
10	H	0.163

	x	y	z
x	8.206	-2.200	0.000
y	-2.200	8.559	0.000
z	0.000	0.000	6.718

<r²>	113.468
(<r²>)^1/2	10.652

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

using model chemistry: HF/CEP-31G*

States and conformations

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