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	hartrees
Energy at 0K	-836.171112
Energy at 298.15K
HF Energy	-835.299318
Nuclear repulsion energy	150.486908

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	3196	3196	3.54	50.37	0.75	0.86
2	A	3181	3181	3.37	77.94	0.75	0.85
3	A	3081	3081	14.49	165.72	0.02	0.04
4	A	2736	2736	1.93	143.92	0.25	0.40
5	A	1494	1494	7.92	6.44	0.74	0.85
6	A	1473	1473	8.71	9.19	0.75	0.86
7	A	1357	1357	2.39	0.41	0.74	0.85
8	A	986	986	3.75	2.21	0.46	0.63
9	A	981	981	4.70	2.37	0.40	0.57
10	A	901	901	4.95	11.26	0.60	0.75
11	A	734	734	1.55	11.21	0.29	0.45
12	A	537	537	0.48	10.29	0.19	0.32
13	A	335	335	13.70	5.48	0.75	0.86
14	A	245	245	0.12	4.11	0.61	0.76
15	A	183	183	0.38	0.05	0.70	0.82

Atom	x (Å)	y (Å)	z (Å)
C1	-1.618	0.685	-0.006
S2	-0.471	-0.704	0.015
S3	1.332	0.242	-0.087
H4	1.525	0.443	1.219
H5	-1.465	1.291	-0.891
H6	-2.616	0.253	-0.030
H7	-1.508	1.289	0.888

	C1	S2	S3	H4	H5	H6	H7
C1		1.8013	2.9847	3.3821	1.0836	1.0871	1.0840
S2	1.8013		2.0391	2.5980	2.4051	2.3488	2.4096
S3	2.9847	2.0391		1.3351	3.0932	3.9485	3.1797
H4	3.3821	2.5980	1.3351		3.7560	4.3289	3.1658
H5	1.0836	2.4051	3.0932	3.7560		1.7731	1.7791
H6	1.0871	2.3488	3.9485	4.3289	1.7731		1.7722
H7	1.0840	2.4096	3.1797	3.1658	1.7791	1.7722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	101.832	S2	C1	H5	110.477
S2	C1	H6	106.168	S2	C1	H7	110.798
S2	S3	H4	98.544	H5	C1	H6	109.539
H5	C1	H7	110.330	H6	C1	H7	109.435

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

using model chemistry: MP2=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: MP2=FULL/Def2TZVPP

States and conformations

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