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	hartrees
Energy at 0K	-835.727221
Energy at 298.15K
HF Energy	-835.251634
Nuclear repulsion energy	140.354352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3085	2940
2	A	2716	2588
3	A	1444	1376
4	A	1196	1139
5	A	901	858
6	A	636	606
7	A	299	285
8	A	227	217
9	B	3148	3001
10	B	2715	2588
11	B	1254	1195
12	B	1004	957
13	B	769	733
14	B	710	676
15	B	259	247

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.788
S2	0.000	1.558	-0.182
S3	0.000	-1.558	-0.182
H4	0.891	-0.057	1.438
H5	-0.891	0.057	1.438
H6	1.114	1.267	-0.894
H7	-1.114	-1.267	-0.894

	C1	S2	S3	H4	H5	H6	H7
C1		1.8354	1.8354	1.1043	1.1043	2.3829	2.3829
S2	1.8354		3.1163	2.4544	2.3815	1.3540	3.1196
S3	1.8354	3.1163		2.3815	2.4544	3.1196	1.3540
H4	1.1043	2.4544	2.3815		1.7862	2.6908	3.3054
H5	1.1043	2.3815	2.4544	1.7862		3.3054	2.6908
H6	2.3829	1.3540	3.1196	2.6908	3.3054		3.3745
H7	2.3829	3.1196	1.3540	3.3054	2.6908	3.3745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.498	C1	S3	H7	95.498
S2	C1	S3	116.198	S2	C1	H4	110.746
S2	C1	H5	105.506	S3	C1	H4	105.506
S3	C1	H5	110.746	H4	C1	H5	107.957

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: QCISD(T)/cc-pVDZ

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: QCISD(T)/cc-pVDZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)