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	hartrees
Energy at 0K	-835.820503
Energy at 298.15K
HF Energy	-835.231003
Nuclear repulsion energy	142.370241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3175	3175	3.48
2	A	2782	2782	0.01
3	A	1502	1502	1.16
4	A	1242	1242	0.45
5	A	933	933	4.55
6	A	667	667	3.43
7	A	306	306	12.78
8	A	233	233	4.55
9	B	3236	3236	0.59
10	B	2781	2781	0.02
11	B	1299	1299	22.41
12	B	1035	1035	19.91
13	B	815	815	17.66
14	B	733	733	0.66
15	B	250	250	37.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.779
S2	0.000	1.535	-0.178
S3	0.000	-1.535	-0.178
H4	0.875	-0.052	1.419
H5	-0.875	0.052	1.419
H6	1.087	1.256	-0.902
H7	-1.087	-1.256	-0.902

	C1	S2	S3	H4	H5	H6	H7
C1		1.8095	1.8095	1.0854	1.0854	2.3637	2.3637
S2	1.8095		3.0708	2.4162	2.3491	1.3359	3.0819
S3	1.8095	3.0708		2.3491	2.4162	3.0819	1.3359
H4	1.0854	2.4162	2.3491		1.7532	2.6731	3.2695
H5	1.0854	2.3491	2.4162	1.7532		3.2695	2.6731
H6	2.3637	1.3359	3.0819	2.6731	3.2695		3.3224
H7	2.3637	3.0819	1.3359	3.2695	2.6731	3.3224

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.271	C1	S3	H7	96.271
S2	C1	S3	116.107	S2	C1	H4	110.653
S2	C1	H5	105.744	S3	C1	H4	105.744
S3	C1	H5	110.653	H4	C1	H5	107.729

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: MP3=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)