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	hartrees
Energy at 0K	-874.323743
Energy at 298.15K	-874.330118
HF Energy	-874.323743
Nuclear repulsion energy	220.856696

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3294	2993	10.21
2	A	3277	2977	8.53
3	A	3193	2902	26.11
4	A	1600	1454	0.06
5	A	1587	1442	7.20
6	A	1486	1350	4.61
7	A	1066	969	2.71
8	A	1063	966	0.93
9	A	759	689	1.39
10	A	549	499	0.49
11	A	251	228	1.58
12	A	170	154	0.03
13	A	100	91	1.85
14	B	3293	2992	15.03
15	B	3276	2976	12.00
16	B	3192	2900	35.97
17	B	1603	1457	18.60
18	B	1583	1438	9.28
19	B	1478	1343	13.86
20	B	1070	972	13.09
21	B	1054	958	1.05
22	B	752	683	1.61
23	B	280	254	1.23
24	B	178	161	0.43

Atom	x (Å)	y (Å)	z (Å)
S1	-0.464	0.924	-0.487
S2	0.464	-0.924	-0.487
C3	0.464	1.841	0.785
C4	-0.464	-1.841	0.785
H5	0.043	2.839	0.804
H6	0.345	1.386	1.757
H7	1.509	1.896	0.523
H8	-0.043	-2.839	0.804
H9	-0.345	-1.386	1.757
H10	-1.509	-1.896	0.523

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.0674	1.8220	3.0439	2.3643	2.4298	2.4204	4.0001	3.2230	3.1727
S2	2.0674		3.0439	1.8220	4.0001	3.2230	3.1727	2.3643	2.4298	2.4204
C3	1.8220	3.0439		3.7978	1.0825	1.0799	1.0793	4.7074	3.4666	4.2342
C4	3.0439	1.8220	3.7978		4.7074	3.4666	4.2342	1.0825	1.0799	1.0793
H5	2.3643	4.0001	1.0825	4.7074		1.7630	1.7660	5.6778	4.3483	4.9902
H6	2.4298	3.2230	1.0799	3.4666	1.7630		1.7713	4.3483	2.8571	3.9664
H7	2.4204	3.1727	1.0793	4.2342	1.7660	1.7713		4.9902	3.9664	4.8466
H8	4.0001	2.3643	4.7074	1.0825	5.6778	4.3483	4.9902		1.7630	1.7660
H9	3.2230	2.4298	3.4666	1.0799	4.3483	2.8571	3.9664	1.7630		1.7713
H10	3.1727	2.4204	4.2342	1.0793	4.9902	3.9664	4.8466	1.7660	1.7713

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.821	S1	C3	H5	106.170
S1	C3	H6	111.119	S1	C3	H7	110.441
S2	S1	C3	102.821	S2	C4	H8	106.170
S2	C4	H9	111.119	S2	C4	H10	110.441
H5	C3	H6	109.233	H5	C3	H7	109.550
H6	C3	H7	110.234	H8	C4	H9	109.233
H8	C4	H10	109.550	H9	C4	H10	110.234

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

using model chemistry: HF/TZVP

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	-0.226
4	C	-0.226
5	H	0.099
6	H	0.099
7	H	0.114
8	H	0.099
9	H	0.099
10	H	0.114

	x	y	z	Total
	0.000	0.000	2.317	2.317
CHELPG
AIM
ESP

	x	y	z
x	6.906	-0.103	0.000
y	-0.103	11.187	0.000
z	0.000	0.000	7.420

<r²>	157.134
(<r²>)^1/2	12.535

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

using model chemistry: HF/TZVP

States and conformations

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