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	hartrees
Energy at 0K	-835.737067
Energy at 298.15K
HF Energy	-835.270339
Nuclear repulsion energy	141.241415

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3162	2957	10.94
2	A	2767	2588	1.42
3	A	1469	1374	0.39
4	A	1230	1150	0.89
5	A	928	868	4.61
6	A	659	616	3.53
7	A	303	284	13.56
8	A	229	214	6.07
9	B	3225	3016	1.82
10	B	2766	2587	5.26
11	B	1323	1237	27.98
12	B	1035	968	24.34
13	B	794	743	19.83
14	B	730	683	0.69
15	B	258	241	40.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.779
S2	0.000	1.552	-0.180
S3	0.000	-1.552	-0.180
H4	0.877	-0.053	1.415
H5	-0.877	0.053	1.415
H6	1.111	1.285	-0.879
H7	-1.111	-1.285	-0.879

	C1	S2	S3	H4	H5	H6	H7
C1		1.8245	1.8245	1.0849	1.0849	2.3734	2.3734
S2	1.8245		3.1047	2.4271	2.3580	1.3396	3.1259
S3	1.8245	3.1047		2.3580	2.4271	3.1259	1.3396
H4	1.0849	2.4271	2.3580		1.7580	2.6658	3.2759
H5	1.0849	2.3580	2.4271	1.7580		3.2759	2.6658
H6	2.3734	1.3396	3.1259	2.6658	3.2759		3.3964
H7	2.3734	3.1259	1.3396	3.2759	2.6658	3.3964

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.982	C1	S3	H7	95.982
S2	C1	S3	116.605	S2	C1	H4	110.473
S2	C1	H5	105.441	S3	C1	H4	105.441
S3	C1	H5	110.473	H4	C1	H5	108.225

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: MP3/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: MP3/TZVP

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)