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	hartrees
Energy at 0K	-874.857887
Energy at 298.15K	-874.864100
HF Energy	-874.256974
Nuclear repulsion energy	221.303828

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3230	3040	5.02
2	A	3215	3026	9.24
3	A	3121	2938	21.01
4	A	1535	1445	0.72
5	A	1520	1431	5.01
6	A	1428	1345	3.33
7	A	1025	965	3.66
8	A	1017	958	2.78
9	A	737	694	0.10
10	A	520	490	0.12
11	A	239	225	1.46
12	A	158	149	0.00
13	A	98	92	1.13
14	B	3229	3040	12.85
15	B	3214	3026	8.86
16	B	3119	2936	20.89
17	B	1539	1449	14.03
18	B	1514	1425	7.41
19	B	1421	1337	8.01
20	B	1023	963	14.81
21	B	1016	956	2.08
22	B	733	690	1.04
23	B	269	254	1.09
24	B	169	159	0.33

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.033	-0.503
S2	0.000	-1.033	-0.503
C3	1.205	1.410	0.808
C4	-1.205	-1.410	0.808
H5	1.294	2.495	0.849
H6	0.864	1.048	1.776
H7	2.176	0.979	0.574
H8	-1.294	-2.495	0.849
H9	-0.864	-1.048	1.776
H10	-2.176	-0.979	0.574

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.0665	1.8199	3.0228	2.3744	2.4368	2.4286	3.9937	3.2044	3.1534
S2	2.0665		3.0228	1.8199	3.9937	3.2044	3.1534	2.3744	2.4368	2.4286
C3	1.8199	3.0228		3.7091	1.0898	1.0882	1.0872	4.6358	3.3550	4.1462
C4	3.0228	1.8199	3.7091		4.6358	3.3550	4.1462	1.0898	1.0882	1.0872
H5	2.3744	3.9937	1.0898	4.6358		1.7714	1.7754	5.6207	4.2501	4.9173
H6	2.4368	3.2044	1.0882	3.3550	1.7714		1.7802	4.2501	2.7159	3.8458
H7	2.4286	3.1534	1.0872	4.1462	1.7754	1.7802		4.9173	3.8458	4.7719
H8	3.9937	2.3744	4.6358	1.0898	5.6207	4.2501	4.9173		1.7714	1.7754
H9	3.2044	2.4368	3.3550	1.0882	4.2501	2.7159	3.8458	1.7714		1.7802
H10	3.1534	2.4286	4.1462	1.0872	4.9173	3.8458	4.7719	1.7754	1.7802

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	101.932	S1	C3	H5	106.672
S1	C3	H6	111.349	S1	C3	H7	110.780
S2	S1	C3	101.932	S2	C4	H8	106.672
S2	C4	H9	111.349	S2	C4	H10	110.780
H5	C3	H6	108.838	H5	C3	H7	109.283
H6	C3	H7	109.832	H8	C4	H9	108.838
H8	C4	H10	109.283	H9	C4	H10	109.832

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

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

using model chemistry: QCISD/6-31G**

States and conformations

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