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	hartrees
Energy at 0K	-831.695031
Energy at 298.15K
HF Energy	-831.297151
Nuclear repulsion energy	141.061707

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3123	3123	7.51
2	A	2758	2758	2.59
3	A	1554	1554	3.43
4	A	1277	1277	1.15
5	A	957	957	5.45
6	A	643	643	3.76
7	A	308	308	20.22
8	A	252	252	6.32
9	B	3174	3174	0.81
10	B	2757	2757	6.21
11	B	1343	1343	13.78
12	B	1068	1068	25.47
13	B	766	766	0.95
14	B	751	751	20.77
15	B	262	262	45.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.797
S2	0.000	1.547	-0.184
S3	0.000	-1.547	-0.184
H4	0.883	-0.049	1.437
H5	-0.883	0.049	1.437
H6	1.104	1.265	-0.890
H7	-1.104	-1.265	-0.890

	C1	S2	S3	H4	H5	H6	H7
C1		1.8316	1.8316	1.0920	1.0920	2.3805	2.3805
S2	1.8316		3.0940	2.4400	2.3773	1.3408	3.1027
S3	1.8316	3.0940		2.3773	2.4400	3.1027	1.3408
H4	1.0920	2.4400	2.3773		1.7695	2.6818	3.2934
H5	1.0920	2.3773	2.4400	1.7695		3.2934	2.6818
H6	2.3805	1.3408	3.1027	2.6818	3.2934		3.3585
H7	2.3805	3.1027	1.3408	3.2934	2.6818	3.3585

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.008	C1	S3	H7	96.008
S2	C1	S3	115.258	S2	C1	H4	110.585
S2	C1	H5	106.025	S3	C1	H4	106.025
S3	C1	H5	110.585	H4	C1	H5	108.232

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: MP3=FULL/3-21G*

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=FULL/3-21G*

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)