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	hartrees
Energy at 0K	-835.899819
Energy at 298.15K	-835.894160
HF Energy	-835.205754
Nuclear repulsion energy	141.787286

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	259	259	6.94	10.59	0.63	0.77
2	A	316	316	20.62	6.91	0.64	0.78
3	A	693	693	4.95	23.36	0.17	0.29
4	A	992	992	4.24	10.39	0.62	0.76
5	A	1332	1332	1.08	20.04	0.71	0.83
6	A	1594	1594	1.31	16.01	0.75	0.86
7	A	2919	2919	5.43	134.42	0.19	0.32
8	A	3261	3261	12.34	90.43	0.14	0.25
9	B	267	267	42.16	0.94	0.75	0.86
10	B	777	777	0.71	2.02	0.75	0.86
11	B	839	839	25.85	17.31	0.75	0.86
12	B	1117	1117	37.12	6.59	0.75	0.86
13	B	1404	1404	28.53	0.31	0.75	0.86
14	B	2918	2918	12.66	117.32	0.75	0.86
15	B	3325	3325	1.61	70.57	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.776
S2	0.000	1.546	-0.179
S3	0.000	-1.546	-0.179
H4	0.873	-0.049	1.415
H5	-0.873	0.049	1.415
H6	1.104	1.319	-0.879
H7	-1.104	-1.319	-0.879

	C1	S2	S3	H4	H5	H6	H7
C1		1.8170	1.8170	1.0829	1.0829	2.3866	2.3866
S2	1.8170		3.0910	2.4177	2.3546	1.3261	3.1482
S3	1.8170	3.0910		2.3546	2.4177	3.1482	1.3261
H4	1.0829	2.4177	2.3546		1.7490	2.6802	3.2835
H5	1.0829	2.3546	2.4177	1.7490		3.2835	2.6802
H6	2.3866	1.3261	3.1482	2.6802	3.2835		3.4393
H7	2.3866	3.1482	1.3261	3.2835	2.6802	3.4393

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	97.581	C1	S3	H7	97.581
S2	C1	S3	116.552	S2	C1	H4	110.387
S2	C1	H5	105.778	S3	C1	H4	105.778
S3	C1	H5	110.387	H4	C1	H5	107.713

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)