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	hartrees
Energy at 0K	-874.869632
Energy at 298.15K	-874.875816
HF Energy	-874.292484
Nuclear repulsion energy	220.860488

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3217	3058	3.24
2	A	3202	3043	6.01
3	A	3091	2938	17.97
4	A	1477	1404	0.46
5	A	1465	1392	6.32
6	A	1350	1283	1.59
7	A	982	933	3.22
8	A	973	925	1.49
9	A	730	694	0.07
10	A	517	491	0.34
11	A	238	226	1.14
12	A	159	151	0.03
13	A	99	94	1.08
14	B	3217	3057	6.78
15	B	3202	3043	3.86
16	B	3090	2937	21.19
17	B	1481	1408	15.10
18	B	1458	1386	9.70
19	B	1341	1274	8.28
20	B	979	931	14.18
21	B	973	925	2.34
22	B	728	692	2.44
23	B	269	255	1.20
24	B	171	162	0.29

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.038	-0.502
S2	0.000	-1.038	-0.502
C3	1.215	1.393	0.807
C4	-1.215	-1.393	0.807
H5	1.309	2.489	0.855
H6	0.871	1.020	1.783
H7	2.191	0.952	0.558
H8	-1.309	-2.489	0.855
H9	-0.871	-1.020	1.783
H10	-2.191	-0.952	0.558

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.0753	1.8208	3.0158	2.3798	2.4456	2.4356	3.9995	3.1962	3.1441
S2	2.0753		3.0158	1.8208	3.9995	3.1962	3.1441	2.3798	2.4456	2.4356
C3	1.8208	3.0158		3.6959	1.1020	1.1001	1.0992	4.6303	3.3351	4.1424
C4	3.0158	1.8208	3.6959		4.6303	3.3351	4.1424	1.1020	1.1001	1.0992
H5	2.3798	3.9995	1.1020	4.6303		1.7920	1.7970	5.6249	4.2340	4.9174
H6	2.4456	3.1962	1.1001	3.3351	1.7920		1.8023	4.2340	2.6822	3.8423
H7	2.4356	3.1441	1.0992	4.1424	1.7970	1.8023		4.9174	3.8423	4.7779
H8	3.9995	2.3798	4.6303	1.1020	5.6249	4.2340	4.9174		1.7920	1.7970
H9	3.1962	2.4456	3.3351	1.1001	4.2340	2.6822	3.8423	1.7920		1.8023
H10	3.1441	2.4356	4.1424	1.0992	4.9174	3.8423	4.7779	1.7970	1.8023

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	101.238	S1	C3	H5	106.406
S1	C3	H6	111.301	S1	C3	H7	110.600
S2	S1	C3	101.238	S2	C4	H8	106.406
S2	C4	H9	111.301	S2	C4	H10	110.600
H5	C3	H6	108.932	H5	C3	H7	109.446
H6	C3	H7	110.065	H8	C4	H9	108.932
H8	C4	H10	109.446	H9	C4	H10	110.065

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

using model chemistry: MP2=FULL/cc-pVDZ

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

using model chemistry: MP2=FULL/cc-pVDZ

States and conformations

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