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	hartrees
Energy at 0K	-35.042278
Energy at 298.15K	-35.048117
Nuclear repulsion energy	62.499612

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3218	3081	17.49
2	A	3203	3066	12.96
3	A	3086	2955	27.04
4	A	1474	1411	0.32
5	A	1460	1398	15.16
6	A	1371	1313	0.64
7	A	980	939	13.60
8	A	977	935	0.62
9	A	673	644	0.32
10	A	449	430	0.01
11	A	199	191	1.54
12	A	141	135	0.03
13	A	81	78	2.18
14	B	3217	3081	23.61
15	B	3202	3066	12.26
16	B	3085	2953	30.56
17	B	1477	1414	29.70
18	B	1457	1395	18.04
19	B	1365	1307	1.02
20	B	981	939	29.05
21	B	973	932	7.47
22	B	672	643	1.23
23	B	222	212	2.59
24	B	148	141	0.63

Atom	x (Å)	y (Å)	z (Å)
S1	-0.502	0.998	-0.502
S2	0.502	-0.998	-0.502
C3	0.502	1.914	0.812
C4	-0.502	-1.914	0.812
H5	0.104	2.940	0.829
H6	0.372	1.449	1.798
H7	1.563	1.930	0.531
H8	-0.104	-2.940	0.829
H9	-0.372	-1.449	1.798
H10	-1.563	-1.930	0.531

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.2351	1.8900	3.1950	2.4303	2.5016	2.4893	4.1760	3.3615	3.2814
S2	2.2351		3.1950	1.8900	4.1760	3.3615	3.2814	2.4303	2.5016	2.4893
C3	1.8900	3.1950		3.9572	1.1006	1.0982	1.0973	4.8912	3.6120	4.3722
C4	3.1950	1.8900	3.9572		4.8912	3.6120	4.3722	1.1006	1.0982	1.0973
H5	2.4303	4.1760	1.1006	4.8912		1.7982	1.7991	5.8830	4.5197	5.1554
H6	2.5016	3.3615	1.0982	3.6120	1.7982		1.8044	4.5197	2.9922	4.0947
H7	2.4893	3.2814	1.0973	4.3722	1.7991	1.8044		5.1554	4.0947	4.9664
H8	4.1760	2.4303	4.8912	1.1006	5.8830	4.5197	5.1554		1.7982	1.7991
H9	3.3615	2.5016	3.6120	1.0982	4.5197	2.9922	4.0947	1.7982		1.8044
H10	3.2814	2.4893	4.3722	1.0973	5.1554	4.0947	4.9664	1.7991	1.8044

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	101.197	S1	C3	H5	105.661
S1	C3	H6	110.889	S1	C3	H7	110.028
S2	S1	C3	101.197	S2	C4	H8	105.661
S2	C4	H9	110.889	S2	C4	H10	110.028
H5	C3	H6	109.735	H5	C3	H7	109.881
H6	C3	H7	110.536	H8	C4	H9	109.735
H8	C4	H10	109.881	H9	C4	H10	110.536

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

using model chemistry: B1B95/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	-0.001
2	S	-0.001
3	C	-0.602
4	C	-0.602
5	H	0.196
6	H	0.195
7	H	0.212
8	H	0.196
9	H	0.195
10	H	0.212

	x	y	z	Total
	0.000	0.000	2.644	2.644
CHELPG
AIM
ESP

	x	y	z
x	6.338	-0.652	0.000
y	-0.652	11.950	0.000
z	0.000	0.000	6.657

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/CEP-31G

States and conformations

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