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	hartrees
Energy at 0K	-835.926633
Energy at 298.15K
HF Energy	-835.309970
Nuclear repulsion energy	148.633225

Atom	x (Å)	y (Å)	z (Å)
C1	-1.632	0.700	-0.006
S2	-0.484	-0.713	0.014
S3	1.351	0.243	-0.087
H4	1.539	0.437	1.232
H5	-1.466	1.306	-0.896
H6	-2.637	0.273	-0.032
H7	-1.512	1.302	0.895

	C1	S2	S3	H4	H5	H6	H7
C1		1.8211	3.0189	3.4144	1.0894	1.0927	1.0896
S2	1.8211		2.0720	2.6270	2.4225	2.3689	2.4273
S3	3.0189	2.0720		1.3466	3.1171	3.9889	3.2063
H4	3.4144	2.6270	1.3466		3.7830	4.3668	3.1889
H5	1.0894	2.4225	3.1171	3.7830		1.7849	1.7914
H6	1.0927	2.3689	3.9889	4.3668	1.7849		1.7844
H7	1.0896	2.4273	3.2063	3.1889	1.7914	1.7844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	101.500	S2	C1	H5	110.132
S2	C1	H6	106.069	S2	C1	H7	110.473
S2	S3	H4	98.191	H5	C1	H6	109.772
H5	C1	H7	110.590	H6	C1	H7	109.704

All results from a given calculation for CH₃SSH (Hydrogen methyl disulfide)

using model chemistry: MP4/daug-cc-pVTZ

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 CH3SSH (Hydrogen methyl disulfide)

using model chemistry: MP4/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃SSH (Hydrogen methyl disulfide)