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	hartrees
Energy at 0K	-874.900391
Energy at 298.15K	-874.906629
HF Energy	-874.323305
Nuclear repulsion energy	221.509577

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3214	3046	4.31
2	A	3201	3034	6.74
3	A	3099	2938	19.94
4	A	1487	1410	0.63
5	A	1468	1391	5.54
6	A	1398	1325	2.29
7	A	1004	952	2.93
8	A	991	939	1.14
9	A	730	692	0.04
10	A	522	495	0.34
11	A	240	228	1.41
12	A	167	158	0.00
13	A	98	93	1.05
14	B	3213	3046	8.83
15	B	3201	3034	6.40
16	B	3098	2936	21.66
17	B	1491	1414	17.78
18	B	1459	1383	9.70
19	B	1391	1319	5.76
20	B	996	945	13.32
21	B	994	942	1.94
22	B	727	690	1.73
23	B	270	256	1.02
24	B	178	169	0.34

Atom	x (Å)	y (Å)	z (Å)
S1	-0.459	0.927	-0.505
S2	0.459	-0.927	-0.505
C3	0.459	1.784	0.812
C4	-0.459	-1.784	0.812
H5	0.060	2.797	0.861
H6	0.313	1.300	1.774
H7	1.519	1.823	0.574
H8	-0.060	-2.797	0.861
H9	-0.313	-1.300	1.774
H10	-1.519	-1.823	0.574

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.0683	1.8201	3.0134	2.3732	2.4353	2.4253	3.9857	3.1892	3.1381
S2	2.0683		3.0134	1.8201	3.9857	3.1892	3.1381	2.3732	2.4353	2.4253
C3	1.8201	3.0134		3.6843	1.0895	1.0874	1.0866	4.6102	3.3214	4.1209
C4	3.0134	1.8201	3.6843		4.6102	3.3214	4.1209	1.0895	1.0874	1.0866
H5	2.3732	3.9857	1.0895	4.6102		1.7719	1.7768	5.5944	4.2133	4.8906
H6	2.4353	3.1892	1.0874	3.3214	1.7719		1.7799	4.2133	2.6735	3.8143
H7	2.4253	3.1381	1.0866	4.1209	1.7768	1.7799		4.8906	3.8143	4.7460
H8	3.9857	2.3732	4.6102	1.0895	5.5944	4.2133	4.8906		1.7719	1.7768
H9	3.1892	2.4353	3.3214	1.0874	4.2133	2.6735	3.8143	1.7719		1.7799
H10	3.1381	2.4253	4.1209	1.0866	4.8906	3.8143	4.7460	1.7768	1.7799

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	101.410	S1	C3	H5	106.590
S1	C3	H6	111.261	S1	C3	H7	110.547
S2	S1	C3	101.410	S2	C4	H8	106.590
S2	C4	H9	111.261	S2	C4	H10	110.547
H5	C3	H6	108.970	H5	C3	H7	109.478
H6	C3	H7	109.916	H8	C4	H9	108.970
H8	C4	H10	109.478	H9	C4	H10	109.916

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

using model chemistry: MP2/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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All results from a given calculation for CH3SSCH3 (Disulfide, dimethyl)

using model chemistry: MP2/TZVP

States and conformations

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