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	hartrees
Energy at 0K	-835.622282
Energy at 298.15K
HF Energy	-835.204069
Nuclear repulsion energy	141.334083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3121	2972	10.29
2	A	2722	2592	6.96
3	A	1510	1438	1.90
4	A	1257	1197	1.41
5	A	941	896	4.81
6	A	666	634	3.30
7	A	313	298	19.41
8	A	250	238	4.95
9	B	3178	3026	1.95
10	B	2721	2591	17.23
11	B	1333	1270	21.35
12	B	1051	1001	29.96
13	B	802	763	18.98
14	B	747	711	0.79
15	B	263	250	41.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.781
S2	0.000	1.547	-0.180
S3	0.000	-1.547	-0.180
H4	0.881	-0.052	1.427
H5	-0.881	0.052	1.427
H6	1.116	1.278	-0.885
H7	-1.116	-1.278	-0.885

	C1	S2	S3	H4	H5	H6	H7
C1		1.8213	1.8213	1.0935	1.0935	2.3776	2.3776
S2	1.8213		3.0946	2.4322	2.3651	1.3470	3.1183
S3	1.8213	3.0946		2.3651	2.4322	3.1183	1.3470
H4	1.0935	2.4322	2.3651		1.7644	2.6775	3.2915
H5	1.0935	2.3651	2.4322	1.7644		3.2915	2.6775
H6	2.3776	1.3470	3.1183	2.6775	3.2915		3.3929
H7	2.3776	3.1183	1.3470	3.2915	2.6775	3.3929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.095	C1	S3	H7	96.095
S2	C1	S3	116.322	S2	C1	H4	110.615
S2	C1	H5	105.743	S3	C1	H4	105.743
S3	C1	H5	110.615	H4	C1	H5	107.562

All results from a given calculation for HSCH₂SH (Methanedithiol)

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 HSCH2SH (Methanedithiol)

using model chemistry: QCISD/6-31G*

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)