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	hartrees
Energy at 0K	-835.767649
Energy at 298.15K
HF Energy	-835.260557
Nuclear repulsion energy	140.208404

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3070	3070
2	A	2697	2697
3	A	1433	1433
4	A	1194	1194
5	A	892	892
6	A	631	631
7	A	290	290
8	A	215	215
9	B	3135	3135
10	B	2697	2697
11	B	1241	1241
12	B	992	992
13	B	759	759
14	B	706	706
15	B	232	232

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.796
S2	0.000	1.558	-0.183
S3	0.000	-1.558	-0.183
H4	0.893	-0.053	1.439
H5	-0.893	0.053	1.439
H6	1.112	1.265	-0.900
H7	-1.112	-1.265	-0.900

	C1	S2	S3	H4	H5	H6	H7
C1		1.8397	1.8397	1.1021	1.1021	2.3905	2.3905
S2	1.8397		3.1159	2.4541	2.3862	1.3554	3.1182
S3	1.8397	3.1159		2.3862	2.4541	3.1182	1.3554
H4	1.1021	2.4541	2.3862		1.7893	2.6942	3.3113
H5	1.1021	2.3862	2.4541	1.7893		3.3113	2.6942
H6	2.3905	1.3554	3.1182	2.6942	3.3113		3.3693
H7	2.3905	3.1182	1.3554	3.3113	2.6942	3.3693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.669	C1	S3	H7	95.669
S2	C1	S3	115.743	S2	C1	H4	110.552
S2	C1	H5	105.667	S3	C1	H4	105.667
S3	C1	H5	110.552	H4	C1	H5	108.546

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: MP4/daug-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: MP4/daug-cc-pVDZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)