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	hartrees
Energy at 0K	-835.741191
Energy at 298.15K
HF Energy	-835.251808
Nuclear repulsion energy	140.577381

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3092	2984
2	A	2742	2647
3	A	1447	1397
4	A	1198	1156
5	A	903	871
6	A	638	616
7	A	301	291
8	A	230	222
9	B	3158	3048
10	B	2742	2646
11	B	1256	1212
12	B	1005	970
13	B	776	749
14	B	711	687
15	B	260	251

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.787
S2	0.000	1.556	-0.181
S3	0.000	-1.556	-0.181
H4	0.890	-0.057	1.436
H5	-0.890	0.057	1.436
H6	1.110	1.264	-0.894
H7	-1.110	-1.264	-0.894

	C1	S2	S3	H4	H5	H6	H7
C1		1.8324	1.8324	1.1034	1.1034	2.3782	2.3782
S2	1.8324		3.1118	2.4516	2.3779	1.3511	3.1135
S3	1.8324	3.1118		2.3779	2.4516	3.1135	1.3511
H4	1.1034	2.4516	2.3779		1.7839	2.6880	3.2997
H5	1.1034	2.3779	2.4516	1.7839		3.2997	2.6880
H6	2.3782	1.3511	3.1135	2.6880	3.2997		3.3648
H7	2.3782	3.1135	1.3511	3.2997	2.6880	3.3648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.478	C1	S3	H7	95.478
S2	C1	S3	116.231	S2	C1	H4	110.791
S2	C1	H5	105.481	S3	C1	H4	105.481
S3	C1	H5	110.791	H4	C1	H5	107.875

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: MP4=FULL/cc-pVDZ

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: MP4=FULL/cc-pVDZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)