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	hartrees
Energy at 0K	-831.675734
Energy at 298.15K
HF Energy	-831.296919
Nuclear repulsion energy	140.836434

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3088	2954	8.26
2	A	2733	2614	3.23
3	A	1542	1475	3.37
4	A	1271	1216	1.11
5	A	954	912	5.27
6	A	639	611	3.34
7	A	305	292	19.49
8	A	251	240	6.64
9	B	3138	3002	1.06
10	B	2732	2613	7.71
11	B	1335	1277	12.43
12	B	1064	1017	24.79
13	B	763	730	1.20
14	B	749	717	17.75
15	B	259	248	43.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.797
S2	0.000	1.550	-0.184
S3	0.000	-1.550	-0.184
H4	0.885	-0.048	1.440
H5	-0.885	0.048	1.440
H6	1.109	1.270	-0.889
H7	-1.109	-1.270	-0.889

	C1	S2	S3	H4	H5	H6	H7
C1		1.8338	1.8338	1.0949	1.0949	2.3840	2.3840
S2	1.8338		3.0993	2.4438	2.3817	1.3433	3.1110
S3	1.8338	3.0993		2.3817	2.4438	3.1110	1.3433
H4	1.0949	2.4438	2.3817		1.7726	2.6849	3.2999
H5	1.0949	2.3817	2.4438	1.7726		3.2999	2.6849
H6	2.3840	1.3433	3.1110	2.6849	3.2999		3.3725
H7	2.3840	3.1110	1.3433	3.2999	2.6849	3.3725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.011	C1	S3	H7	96.011
S2	C1	S3	115.355	S2	C1	H4	110.562
S2	C1	H5	106.062	S3	C1	H4	106.062
S3	C1	H5	110.562	H4	C1	H5	108.087

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CCD/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: CCD/3-21G*

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)