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	hartrees
Energy at 0K	-835.832675
Energy at 298.15K
HF Energy	-835.270075
Nuclear repulsion energy	140.799210

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3108	2971
2	A	2713	2594
3	A	1448	1385
4	A	1211	1158
5	A	913	873
6	A	644	616
7	A	299	286
8	A	223	213
9	B	3172	3033
10	B	2713	2593
11	B	1302	1245
12	B	1019	974
13	B	773	739
14	B	717	685
15	B	255	244

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.782
S2	0.000	1.557	-0.181
S3	0.000	-1.557	-0.181
H4	0.881	-0.054	1.419
H5	-0.881	0.054	1.419
H6	1.118	1.286	-0.876
H7	-1.118	-1.286	-0.876

	C1	S2	S3	H4	H5	H6	H7
C1		1.8306	1.8306	1.0882	1.0882	2.3775	2.3775
S2	1.8306		3.1143	2.4351	2.3649	1.3442	3.1331
S3	1.8306	3.1143		2.3649	2.4351	3.1331	1.3442
H4	1.0882	2.4351	2.3649		1.7645	2.6684	3.2831
H5	1.0882	2.3649	2.4351	1.7645		3.2831	2.6684
H6	2.3775	1.3442	3.1331	2.6684	3.2831		3.4073
H7	2.3775	3.1331	1.3442	3.2831	2.6684	3.4073

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.771	C1	S3	H7	95.771
S2	C1	S3	116.564	S2	C1	H4	110.491
S2	C1	H5	105.394	S3	C1	H4	105.394
S3	C1	H5	110.491	H4	C1	H5	108.342

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/TZVP

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)