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	hartrees
Energy at 0K	-835.758059
Energy at 298.15K
HF Energy	-835.270036
Nuclear repulsion energy	140.728601

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3108	2992
2	A	2717	2615
3	A	1448	1394
4	A	1209	1163
5	A	912	877
6	A	643	619
7	A	299	287
8	A	223	215
9	B	3172	3053
10	B	2716	2614
11	B	1300	1252
12	B	1019	981
13	B	770	741
14	B	717	690
15	B	255	245

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.782
S2	0.000	1.558	-0.181
S3	0.000	-1.558	-0.181
H4	0.881	-0.054	1.420
H5	-0.881	0.054	1.420
H6	1.117	1.286	-0.876
H7	-1.117	-1.286	-0.876

	C1	S2	S3	H4	H5	H6	H7
C1		1.8316	1.8316	1.0889	1.0889	2.3781	2.3781
S2	1.8316		3.1161	2.4366	2.3661	1.3441	3.1343
S3	1.8316	3.1161		2.3661	2.4366	3.1343	1.3441
H4	1.0889	2.4366	2.3661		1.7660	2.6693	3.2840
H5	1.0889	2.3661	2.4366	1.7660		3.2840	2.6693
H6	2.3781	1.3441	3.1343	2.6693	3.2840		3.4080
H7	2.3781	3.1343	1.3441	3.2840	2.6693	3.4080

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.757	C1	S3	H7	95.757
S2	C1	S3	116.562	S2	C1	H4	110.495
S2	C1	H5	105.379	S3	C1	H4	105.379
S3	C1	H5	110.495	H4	C1	H5	108.369

All results from a given calculation for HSCH₂SH (Methanedithiol)

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

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)