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	hartrees
Energy at 0K	-835.990673
Energy at 298.15K
HF Energy	-835.299339
Nuclear repulsion energy	142.039843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3102	2987
2	A	2718	2617
3	A	1468	1414
4	A	1209	1164
5	A	911	878
6	A	647	623
7	A	298	286
8	A	219	211
9	B	3139	3023
10	B	2718	2617
11	B	1262	1216
12	B	1007	969
13	B	783	754
14	B	715	688
15	B	242	233

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.784
S2	0.000	1.539	-0.179
S3	0.000	-1.539	-0.179
H4	0.877	-0.054	1.419
H5	-0.877	0.054	1.419
H6	1.087	1.245	-0.902
H7	-1.087	-1.245	-0.902

	C1	S2	S3	H4	H5	H6	H7
C1		1.8159	1.8159	1.0846	1.0846	2.3608	2.3608
S2	1.8159		3.0785	2.4217	2.3517	1.3380	3.0748
S3	1.8159	3.0785		2.3517	2.4217	3.0748	1.3380
H4	1.0846	2.4217	2.3517		1.7581	2.6683	3.2656
H5	1.0846	2.3517	2.4217	1.7581		3.2656	2.6683
H6	2.3608	1.3380	3.0748	2.6683	3.2656		3.3051
H7	2.3608	3.0748	1.3380	3.2656	2.6683	3.3051

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.736	C1	S3	H7	95.736
S2	C1	S3	115.921	S2	C1	H4	110.682
S2	C1	H5	105.564	S3	C1	H4	105.564
S3	C1	H5	110.682	H4	C1	H5	108.285

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: MP4=FULL/cc-pVTZ

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=FULL/cc-pVTZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)