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	hartrees
Energy at 0K	-836.854565
Energy at 298.15K
HF Energy	-836.483546
Nuclear repulsion energy	149.264931

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3164	3164	5.99
2	A	3147	3147	5.66
3	A	3064	3064	17.41
4	A	2661	2661	5.29
5	A	1495	1495	8.01
6	A	1474	1474	8.33
7	A	1357	1357	3.30
8	A	984	984	5.09
9	A	980	980	3.52
10	A	893	893	4.80
11	A	703	703	1.54
12	A	514	514	0.62
13	A	331	331	13.17
14	A	242	242	0.14
15	A	171	171	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	-1.646	0.681	-0.005
S2	-0.473	-0.703	0.015
S3	1.348	0.244	-0.087
H4	1.555	0.446	1.224
H5	-1.500	1.292	-0.890
H6	-2.637	0.233	-0.034
H7	-1.549	1.285	0.891

	C1	S2	S3	H4	H5	H6	H7
C1		1.8145	3.0271	3.4369	1.0847	1.0883	1.0851
S2	1.8145		2.0550	2.6254	2.4192	2.3583	2.4241
S3	3.0271	2.0550		1.3434	3.1390	3.9857	3.2305
H4	3.4369	2.6254	1.3434		3.8099	4.3818	3.2324
H5	1.0847	2.4192	3.1390	3.8099		1.7744	1.7817
H6	1.0883	2.3583	3.9857	4.3818	1.7744		1.7738
H7	1.0851	2.4241	3.2305	3.2324	1.7817	1.7738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	102.766	S2	C1	H5	110.582
S2	C1	H6	105.942	S2	C1	H7	110.924
S2	S3	H4	99.013	H5	C1	H6	109.485
H5	C1	H7	110.402	H6	C1	H7	109.398

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

using model chemistry: B2PLYP=FULLultrafine/cc-pCVTZ

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: B2PLYP=FULLultrafine/cc-pCVTZ

States and conformations

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