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	hartrees
Energy at 0K	-835.962905
Energy at 298.15K
HF Energy	-835.299524
Nuclear repulsion energy	142.298733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3131	2968	7.58
2	A	2733	2591	0.31
3	A	1489	1412	0.92
4	A	1229	1165	0.44
5	A	926	878	3.82
6	A	660	625	2.69
7	A	299	283	9.57
8	A	224	213	4.25
9	B	3165	3000	1.21
10	B	2732	2590	0.88
11	B	1287	1220	21.19
12	B	1026	973	17.30
13	B	801	760	16.47
14	B	724	687	0.39
15	B	247	234	33.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.780
S2	0.000	1.537	-0.179
S3	0.000	-1.537	-0.179
H4	0.875	-0.052	1.415
H5	-0.875	0.052	1.415
H6	1.093	1.258	-0.895
H7	-1.093	-1.258	-0.895

	C1	S2	S3	H4	H5	H6	H7
C1		1.8114	1.8114	1.0820	1.0820	2.3627	2.3627
S2	1.8114		3.0734	2.4146	2.3471	1.3361	3.0848
S3	1.8114	3.0734		2.3471	2.4146	3.0848	1.3361
H4	1.0820	2.4146	2.3471		1.7522	2.6647	3.2651
H5	1.0820	2.3471	2.4146	1.7522		3.2651	2.6647
H6	2.3627	1.3361	3.0848	2.6647	3.2651		3.3321
H7	2.3627	3.0848	1.3361	3.2651	2.6647	3.3321

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.122	C1	S3	H7	96.122
S2	C1	S3	116.072	S2	C1	H4	110.588
S2	C1	H5	105.645	S3	C1	H4	105.645
S3	C1	H5	110.588	H4	C1	H5	108.134

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CCSD=FULL/cc-pVTZ

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 HSCH2SH (Methanedithiol)

using model chemistry: CCSD=FULL/cc-pVTZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)