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	hartrees
Energy at 0K	-836.743925
Energy at 298.15K
HF Energy	-836.468776
Nuclear repulsion energy	149.356400

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3165	3165	5.93	55.45	0.75	0.86
2	A	3149	3149	5.69	84.45	0.75	0.86
3	A	3061	3061	17.50	178.33	0.02	0.04
4	A	2667	2667	5.12	157.24	0.25	0.41
5	A	1492	1492	8.13	6.86	0.74	0.85
6	A	1471	1471	8.47	9.62	0.75	0.86
7	A	1357	1357	3.13	0.44	0.73	0.85
8	A	983	983	4.63	2.56	0.39	0.56
9	A	978	978	3.78	2.32	0.49	0.66
10	A	894	894	4.69	13.15	0.58	0.74
11	A	704	704	1.58	12.36	0.29	0.45
12	A	514	514	0.61	11.06	0.20	0.33
13	A	333	333	13.12	5.82	0.75	0.86
14	A	243	243	0.15	4.62	0.58	0.74
15	A	173	173	0.40	0.04	0.70	0.82

Atom	x (Å)	y (Å)	z (Å)
C1	-1.644	0.681	-0.005
S2	-0.473	-0.702	0.015
S3	1.347	0.244	-0.087
H4	1.553	0.445	1.223
H5	-1.499	1.292	-0.890
H6	-2.636	0.232	-0.034
H7	-1.548	1.285	0.891

	C1	S2	S3	H4	H5	H6	H7
C1		1.8130	3.0247	3.4337	1.0851	1.0887	1.0855
S2	1.8130		2.0537	2.6232	2.4189	2.3571	2.4234
S3	3.0247	2.0537		1.3422	3.1378	3.9837	3.2285
H4	3.4337	2.6232	1.3422		3.8080	4.3788	3.2296
H5	1.0851	2.4189	3.1378	3.8080		1.7748	1.7821
H6	1.0887	2.3571	3.9837	4.3788	1.7748		1.7743
H7	1.0855	2.4234	3.2285	3.2296	1.7821	1.7743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	102.754	S2	C1	H5	110.635
S2	C1	H6	105.928	S2	C1	H7	110.952
S2	S3	H4	98.995	H5	C1	H6	109.461
H5	C1	H7	110.372	H6	C1	H7	109.383

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

using model chemistry: B2PLYP=FULL/Def2TZVPP

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=FULL/Def2TZVPP

States and conformations

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