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	hartrees
Energy at 0K	-827.178467
Energy at 298.15K
HF Energy	-827.140482
Nuclear repulsion energy	140.230497

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	226	226	8.35	20.88	0.73	0.84
2	A	304	304	7.95	5.91	0.63	0.77
3	A	754	754	1.12	9.88	0.12	0.22
4	A	1048	1048	0.12	9.75	0.55	0.71
5	A	1368	1368	0.75	21.03	0.75	0.86
6	A	1679	1679	0.05	15.46	0.75	0.86
7	A	3021	3021	6.35	83.69	0.17	0.29
8	A	3350	3350	6.35	38.76	0.14	0.25
9	B	258	258	17.76	5.89	0.75	0.86
10	B	798	798	0.21	1.02	0.75	0.86
11	B	925	925	14.31	9.56	0.75	0.86
12	B	1176	1176	25.04	4.43	0.75	0.86
13	B	1434	1434	24.43	3.34	0.75	0.86
14	B	3021	3021	42.07	39.07	0.75	0.86
15	B	3462	3462	2.13	32.33	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.768
S2	0.000	1.564	-0.185
S3	0.000	-1.564	-0.185
H4	0.884	-0.045	1.428
H5	-0.884	0.045	1.428
H6	1.201	1.333	-0.769
H7	-1.201	-1.333	-0.769

	C1	S2	S3	H4	H5	H6	H7
C1		1.8316	1.8316	1.1038	1.1038	2.3626	2.3626
S2	1.8316		3.1279	2.4437	2.3854	1.3549	3.1900
S3	1.8316	3.1279		2.3854	2.4437	3.1900	1.3549
H4	1.1038	2.4437	2.3854		1.7701	2.6126	3.2910
H5	1.1038	2.3854	2.4437	1.7701		3.2910	2.6126
H6	2.3626	1.3549	3.1900	2.6126	3.2910		3.5882
H7	2.3626	3.1900	1.3549	3.2910	2.6126	3.5882

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	94.522	C1	S3	H7	94.522
S2	C1	S3	117.273	S2	C1	H4	110.231
S2	C1	H5	106.037	S3	C1	H4	106.037
S3	C1	H5	110.231	H4	C1	H5	106.603

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: B2PLYP=FULL/STO-3G

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 HSCH2SH (Methanedithiol)

using model chemistry: B2PLYP=FULL/STO-3G

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)