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	hartrees
Energy at 0K	-832.577791
Energy at 298.15K
HF Energy	-832.456852
Nuclear repulsion energy	140.860705

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	244	244	7.09	14.52	0.63	0.77
2	A	303	303	19.77	10.77	0.67	0.80
3	A	630	630	3.23	16.20	0.18	0.31
4	A	944	944	5.25	12.61	0.60	0.75
5	A	1266	1266	1.48	25.87	0.70	0.83
6	A	1540	1540	4.44	21.19	0.74	0.85
7	A	2735	2735	2.78	106.06	0.17	0.28
8	A	3118	3118	7.13	83.39	0.12	0.21
9	B	262	262	47.46	2.33	0.75	0.86
10	B	728	728	29.34	6.63	0.75	0.86
11	B	754	754	0.48	5.97	0.75	0.86
12	B	1054	1054	26.42	7.71	0.75	0.86
13	B	1322	1322	15.16	4.12	0.75	0.86
14	B	2734	2734	6.84	82.08	0.75	0.86
15	B	3172	3172	0.52	62.84	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.792
S2	0.000	1.552	-0.183
S3	0.000	-1.552	-0.183
H4	0.881	-0.051	1.432
H5	-0.881	0.051	1.432
H6	1.112	1.279	-0.884
H7	-1.112	-1.279	-0.884

	C1	S2	S3	H4	H5	H6	H7
C1		1.8327	1.8327	1.0903	1.0903	2.3834	2.3834
S2	1.8327		3.1037	2.4401	2.3742	1.3421	3.1213
S3	1.8327	3.1037		2.3742	2.4401	3.1213	1.3421
H4	1.0903	2.4401	2.3742		1.7657	2.6805	3.2928
H5	1.0903	2.3742	2.4401	1.7657		3.2928	2.6805
H6	2.3834	1.3421	3.1213	2.6805	3.2928		3.3896
H7	2.3834	3.1213	1.3421	3.2928	2.6805	3.3896

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.073	C1	S3	H7	96.073
S2	C1	S3	115.722	S2	C1	H4	110.601
S2	C1	H5	105.813	S3	C1	H4	105.813
S3	C1	H5	110.601	H4	C1	H5	108.135

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: B2PLYP=FULLultrafine/3-21G*

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=FULLultrafine/3-21G*

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)