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	hartrees
Energy at 0K	-876.079381
Energy at 298.15K	-876.085448
Nuclear repulsion energy	220.292907

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3180	3042	5.19
2	A	3164	3027	7.63
3	A	3073	2940	16.37
4	A	1500	1435	0.43
5	A	1488	1424	7.87
6	A	1382	1322	1.49
7	A	994	951	7.63
8	A	989	946	1.67
9	A	707	676	0.08
10	A	507	485	0.28
11	A	230	220	1.65
12	A	143	137	0.07
13	A	101	96	1.53
14	B	3180	3042	7.65
15	B	3164	3027	3.48
16	B	3071	2938	19.54
17	B	1504	1439	21.37
18	B	1482	1418	12.66
19	B	1375	1316	3.34
20	B	994	951	21.27
21	B	984	941	3.89
22	B	705	674	2.85
23	B	259	248	1.58
24	B	155	148	0.51

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.032	-0.492
S2	0.000	-1.032	-0.492
C3	1.224	1.456	0.791
C4	-1.224	-1.456	0.791
H5	1.310	2.548	0.780
H6	0.894	1.138	1.784
H7	2.197	1.017	0.560
H8	-1.310	-2.548	0.780
H9	-0.894	-1.138	1.784
H10	-2.197	-1.017	0.560

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.0638	1.8237	3.0555	2.3729	2.4474	2.4364	4.0184	3.2690	3.1835
S2	2.0638		3.0555	1.8237	4.0184	3.2690	3.1835	2.3729	2.4474	2.4364
C3	1.8237	3.0555		3.8046	1.0953	1.0929	1.0923	4.7385	3.4930	4.2283
C4	3.0555	1.8237	3.8046		4.7385	3.4930	4.2283	1.0953	1.0929	1.0923
H5	2.3729	4.0184	1.0953	4.7385		1.7801	1.7830	5.7297	4.4104	5.0059
H6	2.4474	3.2690	1.0929	3.4930	1.7801		1.7915	4.4104	2.8946	3.9624
H7	2.4364	3.1835	1.0923	4.2283	1.7830	1.7915		5.0059	3.9624	4.8429
H8	4.0184	2.3729	4.7385	1.0953	5.7297	4.4104	5.0059		1.7801	1.7830
H9	3.2690	2.4474	3.4930	1.0929	4.4104	2.8946	3.9624	1.7801		1.7915
H10	3.1835	2.4364	4.2283	1.0923	5.0059	3.9624	4.8429	1.7830	1.7915

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	103.446	S1	C3	H5	106.059
S1	C3	H6	111.627	S1	C3	H7	110.831
S2	S1	C3	103.446	S2	C4	H8	106.059
S2	C4	H9	111.627	S2	C4	H10	110.831
H5	C3	H6	108.884	H5	C3	H7	109.184
H6	C3	H7	110.134	H8	C4	H9	108.884
H8	C4	H10	109.184	H9	C4	H10	110.134

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

using model chemistry: B3PW91/6-31G*

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	ESP
1	S	0.025	-0.103
2	S	0.025	-0.105
3	C	-0.661	-0.356
4	C	-0.661	-0.337
5	H	0.211	0.174
6	H	0.205	0.146
7	H	0.219	0.138
8	H	0.211	0.169
9	H	0.205	0.141
10	H	0.219	0.133

	x	y	z	Total
	0.000	0.000	2.305	2.305
CHELPG
AIM
ESP	0.001	-0.000	2.330	2.330

<r²>	157.532
(<r²>)^1/2	12.551

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

using model chemistry: B3PW91/6-31G*

States and conformations

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