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	hartrees
Energy at 0K	-835.727012
Energy at 298.15K
HF Energy	-835.251645
Nuclear repulsion energy	140.372066

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3086	3020
2	A	2716	2658
3	A	1444	1414
4	A	1196	1171
5	A	901	882
6	A	636	623
7	A	299	293
8	A	228	223
9	B	3150	3083
10	B	2716	2658
11	B	1254	1228
12	B	1004	983
13	B	770	753
14	B	710	695
15	B	259	253

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.788
S2	0.000	1.558	-0.182
S3	0.000	-1.558	-0.182
H4	0.891	-0.056	1.438
H5	-0.891	0.056	1.438
H6	1.114	1.267	-0.895
H7	-1.114	-1.267	-0.895

	C1	S2	S3	H4	H5	H6	H7
C1		1.8351	1.8351	1.1042	1.1042	2.3827	2.3827
S2	1.8351		3.1159	2.4540	2.3813	1.3540	3.1191
S3	1.8351	3.1159		2.3813	2.4540	3.1191	1.3540
H4	1.1042	2.4540	2.3813		1.7860	2.6907	3.3052
H5	1.1042	2.3813	2.4540	1.7860		3.3052	2.6907
H6	2.3827	1.3540	3.1191	2.6907	3.3052		3.3736
H7	2.3827	3.1191	1.3540	3.3052	2.6907	3.3736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.500	C1	S3	H7	95.500
S2	C1	S3	116.194	S2	C1	H4	110.743
S2	C1	H5	105.513	S3	C1	H4	105.513
S3	C1	H5	110.743	H4	C1	H5	107.951

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CCSD(T)/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 HSCH2SH (Methanedithiol)

using model chemistry: CCSD(T)/cc-pVDZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)