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	hartrees
Energy at 0K	-836.505666
Energy at 298.15K
HF Energy	-836.373348
Nuclear repulsion energy	141.063556

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	242	229	5.30	10.57	0.59	0.74
2	A	308	292	20.32	7.85	0.65	0.79
3	A	648	615	3.74	15.25	0.19	0.32
4	A	928	880	4.67	10.68	0.53	0.69
5	A	1247	1182	1.58	22.45	0.68	0.81
6	A	1505	1427	1.80	17.44	0.75	0.85
7	A	2737	2596	4.96	116.81	0.17	0.29
8	A	3133	2972	8.91	89.68	0.12	0.21
9	B	263	249	45.49	1.08	0.75	0.86
10	B	735	697	2.04	1.42	0.75	0.86
11	B	769	729	28.76	10.73	0.75	0.86
12	B	1040	986	29.89	7.58	0.75	0.86
13	B	1315	1247	27.71	3.48	0.75	0.86
14	B	2737	2595	13.05	98.26	0.75	0.86
15	B	3193	3028	1.36	66.81	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.778
S2	0.000	1.553	-0.179
S3	0.000	-1.553	-0.179
H4	0.879	-0.055	1.421
H5	-0.879	0.055	1.421
H6	1.114	1.295	-0.885
H7	-1.114	-1.295	-0.885

	C1	S2	S3	H4	H5	H6	H7
C1		1.8248	1.8248	1.0902	1.0902	2.3844	2.3844
S2	1.8248		3.1068	2.4334	2.3617	1.3443	3.1388
S3	1.8248	3.1068		2.3617	2.4334	3.1388	1.3443
H4	1.0902	2.4334	2.3617		1.7611	2.6827	3.2905
H5	1.0902	2.3617	2.4334	1.7611		3.2905	2.6827
H6	2.3844	1.3443	3.1388	2.6827	3.2905		3.4166
H7	2.3844	3.1388	1.3443	3.2905	2.6827	3.4166

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.417	C1	S3	H7	96.417
S2	C1	S3	116.697	S2	C1	H4	110.647
S2	C1	H5	105.437	S3	C1	H4	105.437
S3	C1	H5	110.647	H4	C1	H5	107.744

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: B2PLYP=FULL/6-31G*

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: B2PLYP=FULL/6-31G*

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)