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	hartrees
Energy at 0K	-831.678938
Energy at 298.15K
HF Energy	-831.296800
Nuclear repulsion energy	140.695653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3075	2955	8.66
2	A	2719	2613	3.95
3	A	1538	1478	3.22
4	A	1266	1216	1.19
5	A	950	913	5.18
6	A	633	608	3.17
7	A	304	292	19.46
8	A	249	240	6.42
9	B	3124	3003	1.14
10	B	2718	2612	9.25
11	B	1328	1277	12.76
12	B	1060	1019	24.88
13	B	759	730	0.35
14	B	741	712	19.04
15	B	259	249	43.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.798
S2	0.000	1.551	-0.184
S3	0.000	-1.551	-0.184
H4	0.886	-0.049	1.441
H5	-0.886	0.049	1.441
H6	1.111	1.271	-0.887
H7	-1.111	-1.271	-0.887

	C1	S2	S3	H4	H5	H6	H7
C1		1.8358	1.8358	1.0956	1.0956	2.3852	2.3852
S2	1.8358		3.1027	2.4462	2.3837	1.3442	3.1139
S3	1.8358	3.1027		2.3837	2.4462	3.1139	1.3442
H4	1.0956	2.4462	2.3837		1.7740	2.6857	3.3016
H5	1.0956	2.3837	2.4462	1.7740		3.3016	2.6857
H6	2.3852	1.3442	3.1139	2.6857	3.3016		3.3764
H7	2.3852	3.1139	1.3442	3.3016	2.6857	3.3764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.956	C1	S3	H7	95.956
S2	C1	S3	115.353	S2	C1	H4	110.571
S2	C1	H5	106.041	S3	C1	H4	106.041
S3	C1	H5	110.571	H4	C1	H5	108.118

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)