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	hartrees
Energy at 0K	-835.756848
Energy at 298.15K
HF Energy	-835.270050
Nuclear repulsion energy	140.759074

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3108	2993
2	A	2734	2632
3	A	1447	1394
4	A	1209	1164
5	A	911	877
6	A	643	619
7	A	300	289
8	A	224	216
9	B	3174	3056
10	B	2733	2632
11	B	1301	1253
12	B	1018	980
13	B	772	743
14	B	717	691
15	B	257	247

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.782
S2	0.000	1.558	-0.181
S3	0.000	-1.558	-0.181
H4	0.881	-0.055	1.419
H5	-0.881	0.055	1.419
H6	1.116	1.286	-0.876
H7	-1.116	-1.286	-0.876

	C1	S2	S3	H4	H5	H6	H7
C1		1.8312	1.8312	1.0892	1.0892	2.3763	2.3763
S2	1.8312		3.1160	2.4366	2.3657	1.3428	3.1333
S3	1.8312	3.1160		2.3657	2.4366	3.1333	1.3428
H4	1.0892	2.4366	2.3657		1.7659	2.6684	3.2823
H5	1.0892	2.3657	2.4366	1.7659		3.2823	2.6684
H6	2.3763	1.3428	3.1333	2.6684	3.2823		3.4057
H7	2.3763	3.1333	1.3428	3.2823	2.6684	3.4057

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.724	C1	S3	H7	95.724
S2	C1	S3	116.604	S2	C1	H4	110.510
S2	C1	H5	105.363	S3	C1	H4	105.363
S3	C1	H5	110.510	H4	C1	H5	108.321

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: MP4/TZVP

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: MP4/TZVP

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)