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	hartrees
Energy at 0K	-836.589872
Energy at 298.15K
HF Energy	-836.435841
Nuclear repulsion energy	147.216444

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	3173	3173	5.49	55.85	0.75	0.86
2	A	3155	3155	5.59	82.03	0.74	0.85
3	A	3057	3057	18.62	199.83	0.03	0.05
4	A	2650	2650	3.35	164.17	0.21	0.34
5	A	1457	1457	8.03	4.46	0.71	0.83
6	A	1438	1438	8.01	5.64	0.75	0.86
7	A	1324	1324	3.75	0.65	0.16	0.28
8	A	966	966	5.70	1.77	0.08	0.15
9	A	962	962	1.76	0.23	0.30	0.46
10	A	871	871	3.46	9.37	0.41	0.58
11	A	695	695	1.39	15.26	0.23	0.38
12	A	498	498	0.72	16.22	0.14	0.24
13	A	311	311	12.67	0.87	0.74	0.85
14	A	237	237	0.22	5.26	0.50	0.67
15	A	169	169	0.33	0.01	0.69	0.82

Atom	x (Å)	y (Å)	z (Å)
C1	-1.650	0.703	-0.004
S2	-0.492	-0.715	0.013
S3	1.369	0.244	-0.088
H4	1.569	0.421	1.243
H5	-1.488	1.318	-0.895
H6	-2.658	0.267	-0.037
H7	-1.541	1.306	0.904

	C1	S2	S3	H4	H5	H6	H7
C1		1.8312	3.0544	3.4637	1.0948	1.0983	1.0952
S2	1.8312		2.0962	2.6556	2.4395	2.3783	2.4450
S3	3.0544	2.0962		1.3578	3.1565	4.0265	3.2523
H4	3.4637	2.6556	1.3578		3.8370	4.4187	3.2512
H5	1.0948	2.4395	3.1565	3.8370		1.7916	1.8004
H6	1.0983	2.3783	4.0265	4.4187	1.7916		1.7915
H7	1.0952	2.4450	3.2523	3.2512	1.8004	1.7915

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	101.891	S2	C1	H5	110.425
S2	C1	H6	105.820	S2	C1	H7	110.814
S2	S3	H4	98.229	H5	C1	H6	109.551
H5	C1	H7	110.594	H6	C1	H7	109.520

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

using model chemistry: B2PLYP=FULL/daug-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: B2PLYP=FULL/daug-cc-pVDZ

States and conformations

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