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	hartrees
Energy at 0K	-836.588238
Energy at 298.15K
HF Energy	-836.435048
Nuclear repulsion energy	147.213378

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	3177	3055	5.05	55.71	0.75	0.86
2	A	3158	3038	5.41	81.01	0.74	0.85
3	A	3060	2943	17.50	194.87	0.03	0.05
4	A	2649	2548	3.38	161.33	0.21	0.35
5	A	1456	1400	8.09	4.37	0.71	0.83
6	A	1438	1383	8.31	5.34	0.75	0.86
7	A	1323	1273	3.92	0.59	0.27	0.42
8	A	966	929	5.39	1.74	0.07	0.14
9	A	962	925	2.07	0.34	0.24	0.38
10	A	870	837	3.32	9.86	0.41	0.59
11	A	695	668	1.41	15.42	0.24	0.39
12	A	498	479	0.72	15.64	0.15	0.26
13	A	310	298	12.91	0.94	0.74	0.85
14	A	237	228	0.21	5.24	0.51	0.67
15	A	169	162	0.38	0.02	0.71	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	-1.650	0.704	-0.004
S2	-0.492	-0.715	0.013
S3	1.368	0.245	-0.088
H4	1.568	0.420	1.244
H5	-1.489	1.317	-0.897
H6	-2.658	0.268	-0.035
H7	-1.539	1.306	0.904

	C1	S2	S3	H4	H5	H6	H7
C1		1.8313	3.0541	3.4628	1.0950	1.0986	1.0954
S2	1.8313		2.0963	2.6548	2.4395	2.3786	2.4448
S3	3.0541	2.0963		1.3579	3.1571	4.0266	3.2505
H4	3.4628	2.6548	1.3579		3.8378	4.4175	3.2490
H5	1.0950	2.4395	3.1571	3.8378		1.7919	1.8013
H6	1.0986	2.3786	4.0266	4.4175	1.7919		1.7919
H7	1.0954	2.4448	3.2505	3.2490	1.8013	1.7919

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	101.868	S2	C1	H5	110.411
S2	C1	H6	105.823	S2	C1	H7	110.780
S2	S3	H4	98.173	H5	C1	H6	109.544
H5	C1	H7	110.650	H6	C1	H7	109.514

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

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

States and conformations

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