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	hartrees
Energy at 0K	-835.895780
Energy at 298.15K
HF Energy	-835.289950
Nuclear repulsion energy	141.870890

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3086	3086
2	A	2715	2715
3	A	1455	1455
4	A	1203	1203
5	A	908	908
6	A	642	642
7	A	295	295
8	A	213	213
9	B	3144	3144
10	B	2714	2714
11	B	1262	1262
12	B	1006	1006
13	B	775	775
14	B	713	713
15	B	235	235

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.785
S2	0.000	1.541	-0.180
S3	0.000	-1.541	-0.180
H4	0.880	-0.055	1.422
H5	-0.880	0.055	1.422
H6	1.089	1.252	-0.902
H7	-1.089	-1.252	-0.902

	C1	S2	S3	H4	H5	H6	H7
C1		1.8175	1.8175	1.0886	1.0886	2.3660	2.3660
S2	1.8175		3.0815	2.4263	2.3559	1.3383	3.0834
S3	1.8175	3.0815		2.3559	2.4263	3.0834	1.3383
H4	1.0886	2.4263	2.3559		1.7641	2.6748	3.2734
H5	1.0886	2.3559	2.4263	1.7641		3.2734	2.6748
H6	2.3660	1.3383	3.0834	2.6748	3.2734		3.3185
H7	2.3660	3.0834	1.3383	3.2734	2.6748	3.3185

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.940	C1	S3	H7	95.940
S2	C1	S3	115.928	S2	C1	H4	110.695
S2	C1	H5	105.563	S3	C1	H4	105.563
S3	C1	H5	110.695	H4	C1	H5	108.252

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: QCISD(T)/Def2TZVPP

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: QCISD(T)/Def2TZVPP

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)