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	hartrees
Energy at 0K	-835.891202
Energy at 298.15K
HF Energy	-835.301028
Nuclear repulsion energy	141.880649

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3104	2988	6.31
2	A	2723	2621	0.06
3	A	1481	1425	0.85
4	A	1223	1177	0.48
5	A	920	885	3.64
6	A	655	630	2.74
7	A	295	284	7.34
8	A	220	212	3.74
9	B	3160	3041	1.25
10	B	2723	2620	0.30
11	B	1283	1234	22.07
12	B	1022	984	16.22
13	B	791	762	17.27
14	B	725	698	0.52
15	B	237	229	30.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.785
S2	0.000	1.540	-0.180
S3	0.000	-1.540	-0.180
H4	0.880	-0.051	1.422
H5	-0.880	0.051	1.422
H6	1.099	1.261	-0.896
H7	-1.099	-1.261	-0.896

	C1	S2	S3	H4	H5	H6	H7
C1		1.8172	1.8172	1.0873	1.0873	2.3715	2.3715
S2	1.8172		3.0794	2.4225	2.3574	1.3405	3.0928
S3	1.8172	3.0794		2.3574	2.4225	3.0928	1.3405
H4	1.0873	2.4225	2.3574		1.7632	2.6720	3.2791
H5	1.0873	2.3574	2.4225	1.7632		3.2791	2.6720
H6	2.3715	1.3405	3.0928	2.6720	3.2791		3.3455
H7	2.3715	3.0928	1.3405	3.2791	2.6720	3.3455

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.185	C1	S3	H7	96.185
S2	C1	S3	115.838	S2	C1	H4	110.506
S2	C1	H5	105.753	S3	C1	H4	105.753
S3	C1	H5	110.506	H4	C1	H5	108.344

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: QCISD/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)