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	hartrees
Energy at 0K	-835.707750
Energy at 298.15K
HF Energy	-835.256084
Nuclear repulsion energy	141.031245

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3074	2959
2	A	2594	2497
3	A	1470	1415
4	A	1241	1194
5	A	917	882
6	A	650	626
7	A	302	291
8	A	244	235
9	B	3130	3013
10	B	2594	2497
11	B	1313	1264
12	B	1033	995
13	B	779	749
14	B	720	693
15	B	257	248

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.776
S2	0.000	1.552	-0.181
S3	0.000	-1.552	-0.181
H4	0.881	-0.053	1.422
H5	-0.881	0.053	1.422
H6	1.147	1.302	-0.853
H7	-1.147	-1.302	-0.853

	C1	S2	S3	H4	H5	H6	H7
C1		1.8232	1.8232	1.0938	1.0938	2.3794	2.3794
S2	1.8232		3.1042	2.4333	2.3652	1.3526	3.1483
S3	1.8232	3.1042		2.3652	2.4333	3.1483	1.3526
H4	1.0938	2.4333	2.3652		1.7645	2.6608	3.2935
H5	1.0938	2.3652	2.4333	1.7645		3.2935	2.6608
H6	2.3794	1.3526	3.1483	2.6608	3.2935		3.4702
H7	2.3794	3.1483	1.3526	3.2935	2.6608	3.4702

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.911	C1	S3	H7	95.911
S2	C1	S3	116.704	S2	C1	H4	110.553
S2	C1	H5	105.620	S3	C1	H4	105.620
S3	C1	H5	110.553	H4	C1	H5	107.526

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CCSD(T)/6-311G*

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(T)/6-311G*

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)