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	hartrees
Energy at 0K	-873.676573
Energy at 298.15K	-873.682540
HF Energy	-873.676573
Nuclear repulsion energy	221.998642

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3097	3051	0.65
2	A	3082	3036	5.01
3	A	2984	2940	15.69
4	A	1402	1381	0.45
5	A	1391	1371	12.67
6	A	1295	1276	0.26
7	A	938	924	4.92
8	A	931	917	2.33
9	A	703	693	0.14
10	A	508	501	0.57
11	A	225	222	1.91
12	A	134	132	0.12
13	A	84	83	1.09
14	B	3097	3051	2.72
15	B	3084	3038	0.50
16	B	2983	2939	14.09
17	B	1408	1387	31.14
18	B	1384	1364	20.12
19	B	1288	1269	0.34
20	B	939	925	18.05
21	B	927	913	4.12
22	B	703	693	7.52
23	B	253	250	1.65
24	B	161	159	0.56

Atom	x (Å)	y (Å)	z (Å)
S1	-0.446	0.924	-0.503
S2	0.446	-0.924	-0.503
C3	0.446	1.794	0.806
C4	-0.446	-1.794	0.806
H5	0.048	2.823	0.825
H6	0.274	1.334	1.792
H7	1.525	1.831	0.590
H8	-0.048	-2.823	0.825
H9	-0.274	-1.334	1.792
H10	-1.525	-1.831	0.590

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.0511	1.8075	3.0165	2.3695	2.4402	2.4291	3.9947	3.2241	3.1534
S2	2.0511		3.0165	1.8075	3.9947	3.2241	3.1534	2.3695	2.4402	2.4291
C3	1.8075	3.0165		3.6975	1.1034	1.1017	1.1009	4.6435	3.3582	4.1318
C4	3.0165	1.8075	3.6975		4.6435	3.3582	4.1318	1.1034	1.1017	1.1009
H5	2.3695	3.9947	1.1034	4.6435		1.7898	1.7948	5.6467	4.2803	4.9179
H6	2.4402	3.2241	1.1017	3.3582	1.7898		1.8050	4.2803	2.7240	3.8340
H7	2.4291	3.1534	1.1009	4.1318	1.7948	1.8050		4.9179	3.8340	4.7653
H8	3.9947	2.3695	4.6435	1.1034	5.6467	4.2803	4.9179		1.7898	1.7948
H9	3.2241	2.4402	3.3582	1.1017	4.2803	2.7240	3.8340	1.7898		1.8050
H10	3.1534	2.4291	4.1318	1.1009	4.9179	3.8340	4.7653	1.7948	1.8050

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.660	S1	C3	H5	106.462
S1	C3	H6	111.719	S1	C3	H7	110.926
S2	S1	C3	102.660	S2	C4	H8	106.462
S2	C4	H9	111.719	S2	C4	H10	110.926
H5	C3	H6	108.515	H5	C3	H7	109.026
H6	C3	H7	110.067	H8	C4	H9	108.515
H8	C4	H10	109.026	H9	C4	H10	110.067

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

using model chemistry: SVWN/6-31+G**

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	0.065
2	S	0.065
3	C	-0.739
4	C	-0.739
5	H	0.221
6	H	0.218
7	H	0.235
8	H	0.221
9	H	0.218
10	H	0.235

	x	y	z	Total
	0.000	0.000	2.273	2.273
CHELPG
AIM
ESP

	x	y	z
x	8.218	-0.057	0.000
y	-0.057	12.430	0.000
z	0.000	0.000	8.614

<r²>	154.827
(<r²>)^1/2	12.443

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

using model chemistry: SVWN/6-31+G**

States and conformations

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