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	hartrees
Energy at 0K	-835.708099
Energy at 298.15K
HF Energy	-835.252066
Nuclear repulsion energy	140.784188

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3136	2973	11.14
2	A	2762	2618	1.96
3	A	1463	1386	0.49
4	A	1214	1151	0.56
5	A	917	869	3.80
6	A	651	617	2.98
7	A	303	287	13.60
8	A	233	220	5.24
9	B	3200	3033	1.69
10	B	2762	2618	3.98
11	B	1275	1208	25.10
12	B	1020	967	17.73
13	B	793	751	19.65
14	B	722	684	0.75
15	B	260	246	39.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.785
S2	0.000	1.554	-0.181
S3	0.000	-1.554	-0.181
H4	0.888	-0.055	1.433
H5	-0.888	0.055	1.433
H6	1.109	1.268	-0.895
H7	-1.109	-1.268	-0.895

	C1	S2	S3	H4	H5	H6	H7
C1		1.8295	1.8295	1.1003	1.1003	2.3792	2.3792
S2	1.8295		3.1071	2.4455	2.3743	1.3498	3.1143
S3	1.8295	3.1071		2.3743	2.4455	3.1143	1.3498
H4	1.1003	2.4455	2.3743		1.7793	2.6864	3.2980
H5	1.1003	2.3743	2.4455	1.7793		3.2980	2.6864
H6	2.3792	1.3498	3.1143	2.6864	3.2980		3.3687
H7	2.3792	3.1143	1.3498	3.2980	2.6864	3.3687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.710	C1	S3	H7	95.710
S2	C1	S3	116.243	S2	C1	H4	110.692
S2	C1	H5	105.553	S3	C1	H4	105.553
S3	C1	H5	110.692	H4	C1	H5	107.914

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: MP3/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: MP3/cc-pVDZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)