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	hartrees
Energy at 0K	-874.360336
Energy at 298.15K	-874.366736
Nuclear repulsion energy	222.589815

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3276	2982	9.02
2	A	3257	2965	9.88
3	A	3179	2894	23.04
4	A	1598	1454	0.13
5	A	1584	1442	6.43
6	A	1480	1347	2.10
7	A	1060	965	2.81
8	A	1059	964	0.28
9	A	763	694	0.61
10	A	554	504	0.44
11	A	254	232	1.20
12	A	167	152	0.05
13	A	106	97	1.65
14	B	3275	2981	14.77
15	B	3256	2964	11.12
16	B	3177	2892	35.28
17	B	1601	1457	14.56
18	B	1579	1438	8.80
19	B	1472	1340	11.46
20	B	1064	969	11.92
21	B	1050	955	1.00
22	B	755	688	1.09
23	B	285	260	0.93
24	B	175	160	0.32

Atom	x (Å)	y (Å)	z (Å)
S1	-0.451	0.914	-0.487
S2	0.451	-0.914	-0.487
C3	0.451	1.832	0.784
C4	-0.451	-1.832	0.784
H5	0.036	2.832	0.786
H6	0.311	1.391	1.759
H7	1.501	1.879	0.544
H8	-0.036	-2.832	0.786
H9	-0.311	-1.391	1.759
H10	-1.501	-1.879	0.544

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.0388	1.8087	3.0265	2.3532	2.4195	2.4095	3.9788	3.2216	3.1579
S2	2.0388		3.0265	1.8087	3.9788	3.2216	3.1579	2.3532	2.4195	2.4095
C3	1.8087	3.0265		3.7737	1.0825	1.0795	1.0789	4.6898	3.4521	4.2006
C4	3.0265	1.8087	3.7737		4.6898	3.4521	4.2006	1.0825	1.0795	1.0789
H5	2.3532	3.9788	1.0825	4.6898		1.7608	1.7644	5.6649	4.3473	4.9622
H6	2.4195	3.2216	1.0795	3.4521	1.7608		1.7701	4.3473	2.8498	3.9313
H7	2.4095	3.1579	1.0789	4.2006	1.7644	1.7701		4.9622	3.9313	4.8111
H8	3.9788	2.3532	4.6898	1.0825	5.6649	4.3473	4.9622		1.7608	1.7644
H9	3.2216	2.4195	3.4521	1.0795	4.3473	2.8498	3.9313	1.7608		1.7701
H10	3.1579	2.4095	4.2006	1.0789	4.9622	3.9313	4.8111	1.7644	1.7701

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	103.582	S1	C3	H5	106.230
S1	C3	H6	111.275	S1	C3	H7	110.550
S2	S1	C3	103.582	S2	C4	H8	106.230
S2	C4	H9	111.275	S2	C4	H10	110.550
H5	C3	H6	109.062	H5	C3	H7	109.441
H6	C3	H7	110.184	H8	C4	H9	109.062
H8	C4	H10	109.441	H9	C4	H10	110.184

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

using model chemistry: HF/cc-pV(T+d)Z

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	-0.091
2	S	-0.091
3	C	-0.234
4	C	-0.234
5	H	0.105
6	H	0.103
7	H	0.116
8	H	0.105
9	H	0.103
10	H	0.116

	x	y	z	Total
	0.000	0.000	2.205	2.205
CHELPG
AIM
ESP

	x	y	z
x	7.421	-0.039	0.000
y	-0.039	11.627	0.000
z	0.000	0.000	7.960

<r²>	155.251
(<r²>)^1/2	12.460

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

using model chemistry: HF/cc-pV(T+d)Z

States and conformations

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