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	hartrees
Energy at 0K	-835.870220
Energy at 298.15K
HF Energy	-835.290178
Nuclear repulsion energy	142.129685

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3108	3108	8.26
2	A	2738	2738	0.25
3	A	1473	1473	0.82
4	A	1221	1221	0.53
5	A	921	921	3.68
6	A	654	654	2.79
7	A	297	297	9.14
8	A	220	220	4.52
9	B	3164	3164	1.44
10	B	2737	2737	0.69
11	B	1282	1282	21.01
12	B	1022	1022	17.76
13	B	793	793	16.33
14	B	722	722	0.39
15	B	241	241	33.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.781
S2	0.000	1.538	-0.179
S3	0.000	-1.538	-0.179
H4	0.878	-0.053	1.419
H5	-0.878	0.053	1.419
H6	1.092	1.261	-0.897
H7	-1.092	-1.261	-0.897

	C1	S2	S3	H4	H5	H6	H7
C1		1.8131	1.8131	1.0867	1.0867	2.3662	2.3662
S2	1.8131		3.0767	2.4202	2.3515	1.3360	3.0898
S3	1.8131	3.0767		2.3515	2.4202	3.0898	1.3360
H4	1.0867	2.4202	2.3515		1.7590	2.6719	3.2718
H5	1.0867	2.3515	2.4202	1.7590		3.2718	2.6719
H6	2.3662	1.3360	3.0898	2.6719	3.2718		3.3368
H7	2.3662	3.0898	1.3360	3.2718	2.6719	3.3368

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.241	C1	S3	H7	96.241
S2	C1	S3	116.090	S2	C1	H4	110.638
S2	C1	H5	105.624	S3	C1	H4	105.624
S3	C1	H5	110.638	H4	C1	H5	108.052

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: QCISD/Def2TZVPP

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: QCISD/Def2TZVPP

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)