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	hartrees
Energy at 0K	-835.786617
Energy at 298.15K
HF Energy	-835.265552
Nuclear repulsion energy	146.701621

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3150	3059
2	A	3134	3043
3	A	3035	2948
4	A	2652	2576
5	A	1455	1413
6	A	1439	1398
7	A	1326	1288
8	A	963	935
9	A	960	932
10	A	866	841
11	A	697	677
12	A	487	473
13	A	308	299
14	A	235	228
15	A	168	163

Atom	x (Å)	y (Å)	z (Å)
C1	-1.633	0.722	-0.004
S2	-0.504	-0.726	0.012
S3	1.369	0.244	-0.087
H4	1.554	0.410	1.249
H5	-1.452	1.332	-0.902
H6	-2.659	0.315	-0.032
H7	-1.500	1.325	0.907

	C1	S2	S3	H4	H5	H6	H7
C1		1.8364	3.0411	3.4385	1.1006	1.1041	1.1011
S2	1.8364		2.1116	2.6557	2.4437	2.3936	2.4502
S3	3.0411	2.1116		1.3590	3.1317	4.0290	3.2241
H4	3.4385	2.6557	1.3590		3.8096	4.4043	3.2071
H5	1.1006	2.4437	3.1317	3.8096		1.8021	1.8101
H6	1.1041	2.3936	4.0290	4.4043	1.8021		1.8018
H7	1.1011	2.4502	3.2241	3.2071	1.8101	1.8018

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	100.529	S2	C1	H5	110.081
S2	C1	H6	106.292	S2	C1	H7	110.537
S2	S3	H4	97.481	H5	C1	H6	109.645
H5	C1	H7	110.603	H6	C1	H7	109.587

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

using model chemistry: CCSD(T)=FULL/aug-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 CH3SSH (Hydrogen methyl disulfide)

using model chemistry: CCSD(T)=FULL/aug-cc-pVDZ

States and conformations

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