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	hartrees
Energy at 0K	-836.745435
Energy at 298.15K
HF Energy	-836.468722
Nuclear repulsion energy	149.331529

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	3164	3164	4.38	54.66	0.75	0.86
2	A	3148	3148	4.75	75.91	0.74	0.85
3	A	3061	3061	16.53	178.22	0.03	0.06
4	A	2659	2659	3.23	147.38	0.24	0.39
5	A	1496	1496	8.47	4.28	0.70	0.82
6	A	1475	1475	8.82	5.67	0.75	0.86
7	A	1360	1360	2.48	0.75	0.16	0.27
8	A	984	984	4.54	1.42	0.07	0.13
9	A	980	980	3.25	0.56	0.27	0.42
10	A	890	890	5.42	10.16	0.44	0.61
11	A	706	706	1.40	13.74	0.23	0.38
12	A	512	512	0.58	10.24	0.11	0.20
13	A	328	328	12.38	0.52	0.53	0.69
14	A	243	243	0.14	5.03	0.53	0.69
15	A	172	172	0.35	0.01	0.64	0.78

Atom	x (Å)	y (Å)	z (Å)
C1	-1.646	0.680	-0.005
S2	-0.473	-0.701	0.015
S3	1.348	0.243	-0.088
H4	1.557	0.444	1.224
H5	-1.498	1.294	-0.888
H6	-2.636	0.229	-0.039
H7	-1.553	1.281	0.894

	C1	S2	S3	H4	H5	H6	H7
C1		1.8122	3.0266	3.4385	1.0853	1.0889	1.0857
S2	1.8122		2.0541	2.6255	2.4183	2.3558	2.4230
S3	3.0266	2.0541		1.3432	3.1376	3.9848	3.2339
H4	3.4385	2.6255	1.3432		3.8099	4.3844	3.2376
H5	1.0853	2.4183	3.1376	3.8099		1.7751	1.7828
H6	1.0889	2.3558	3.9848	4.3844	1.7751		1.7746
H7	1.0857	2.4230	3.2339	3.2376	1.7828	1.7746

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	102.855	S2	C1	H5	110.629
S2	C1	H6	105.880	S2	C1	H7	110.963
S2	S3	H4	99.067	H5	C1	H6	109.459
H5	C1	H7	110.406	H6	C1	H7	109.391

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

using model chemistry: B2PLYP=FULLultrafine/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

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