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	hartrees
Energy at 0K	-835.786922
Energy at 298.15K
HF Energy	-835.265542
Nuclear repulsion energy	146.690820

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3149	3055
2	A	3133	3039
3	A	3034	2943
4	A	2651	2571
5	A	1455	1411
6	A	1439	1396
7	A	1326	1286
8	A	963	934
9	A	959	931
10	A	865	839
11	A	697	676
12	A	487	472
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	-0.503	-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	0.314	-0.033
H7	-1.501	1.325	0.908

	C1	S2	S3	H4	H5	H6	H7
C1		1.8367	3.0415	3.4390	1.1007	1.1042	1.1011
S2	1.8367		2.1116	2.6560	2.4439	2.3939	2.4504
S3	3.0415	2.1116		1.3591	3.1318	4.0293	3.2245
H4	3.4390	2.6560	1.3591		3.8097	4.4048	3.2075
H5	1.1007	2.4439	3.1318	3.8097		1.8023	1.8103
H6	1.1042	2.3939	4.0293	4.4048	1.8023		1.8020
H7	1.1011	2.4504	3.2245	3.2075	1.8103	1.8020

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	100.534	S2	C1	H5	110.071
S2	C1	H6	106.294	S2	C1	H7	110.529
S2	S3	H4	97.488	H5	C1	H6	109.654
H5	C1	H7	110.605	H6	C1	H7	109.593

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

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

States and conformations

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