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	hartrees
Energy at 0K	-835.783972
Energy at 298.15K
HF Energy	-835.290449
Nuclear repulsion energy	142.881202

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3190	3190	7.22
2	A	2827	2827	0.05
3	A	1516	1516	1.19
4	A	1261	1261	0.46
5	A	951	951	3.84
6	A	677	677	3.06
7	A	305	305	10.21
8	A	230	230	5.03
9	B	3247	3247	1.19
10	B	2826	2826	0.18
11	B	1325	1325	20.50
12	B	1056	1056	19.80
13	B	826	826	15.64
14	B	743	743	0.32
15	B	248	248	34.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.775
S2	0.000	1.531	-0.177
S3	0.000	-1.531	-0.177
H4	0.872	-0.052	1.411
H5	-0.872	0.052	1.411
H6	1.085	1.269	-0.896
H7	-1.085	-1.269	-0.896

	C1	S2	S3	H4	H5	H6	H7
C1		1.8028	1.8028	1.0802	1.0802	2.3614	2.3614
S2	1.8028		3.0616	2.4056	2.3385	1.3273	3.0870
S3	1.8028	3.0616		2.3385	2.4056	3.0870	1.3273
H4	1.0802	2.4056	2.3385		1.7464	2.6660	3.2599
H5	1.0802	2.3385	2.4056	1.7464		3.2599	2.6660
H6	2.3614	1.3273	3.0870	2.6660	3.2599		3.3386
H7	2.3614	3.0870	1.3273	3.2599	2.6660	3.3386

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.777	C1	S3	H7	96.777
S2	C1	S3	116.239	S2	C1	H4	110.594
S2	C1	H5	105.669	S3	C1	H4	105.669
S3	C1	H5	110.594	H4	C1	H5	107.874

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CID/Def2TZVPP

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: CID/Def2TZVPP

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)