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	hartrees
Energy at 0K	-836.079450
Energy at 298.15K
HF Energy	-835.320492
Nuclear repulsion energy	149.943496

Atom	x (Å)	y (Å)	z (Å)
C1	-1.626	0.686	-0.006
S2	-0.475	-0.704	0.015
S3	1.340	0.242	-0.087
H4	1.537	0.440	1.223
H5	-1.474	1.292	-0.890
H6	-2.623	0.254	-0.029
H7	-1.517	1.289	0.888

	C1	S2	S3	H4	H5	H6	H7
C1		1.8050	3.0000	3.4022	1.0829	1.0861	1.0833
S2	1.8050		2.0488	2.6105	2.4080	2.3525	2.4123
S3	3.0000	2.0488		1.3395	3.1079	3.9628	3.1944
H4	3.4022	2.6105	1.3395		3.7752	4.3480	3.1871
H5	1.0829	2.4080	3.1079	3.7752		1.7713	1.7780
H6	1.0861	2.3525	3.9628	4.3480	1.7713		1.7705
H7	1.0833	2.4123	3.1944	3.1871	1.7780	1.7705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	102.053	S2	C1	H5	110.482
S2	C1	H6	106.245	S2	C1	H7	110.791
S2	S3	H4	98.623	H5	C1	H6	109.499
H5	C1	H7	110.333	H6	C1	H7	109.398

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

using model chemistry: CCSD=FULL/cc-pVQZ

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: CCSD=FULL/cc-pVQZ

States and conformations

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