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	hartrees
Energy at 0K	-836.604482
Energy at 298.15K
HF Energy	-836.439641
Nuclear repulsion energy	140.770699

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	225	225	6.79	13.19	0.63	0.78
2	A	297	297	14.56	9.46	0.60	0.75
3	A	639	639	3.45	11.68	0.15	0.26
4	A	909	909	4.64	5.85	0.32	0.49
5	A	1217	1217	0.98	14.30	0.59	0.74
6	A	1462	1462	0.98	17.28	0.71	0.83
7	A	2711	2711	0.88	142.77	0.12	0.21
8	A	3115	3115	9.88	107.85	0.08	0.15
9	B	258	258	44.56	2.48	0.75	0.86
10	B	720	720	1.85	0.53	0.75	0.86
11	B	755	755	30.57	11.30	0.75	0.86
12	B	1017	1017	22.65	4.51	0.75	0.86
13	B	1291	1291	29.52	1.32	0.75	0.86
14	B	2710	2710	3.81	87.66	0.75	0.86
15	B	3176	3176	1.36	65.69	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.776
S2	0.000	1.559	-0.180
S3	0.000	-1.559	-0.180
H4	0.878	-0.055	1.413
H5	-0.878	0.055	1.413
H6	1.129	1.310	-0.867
H7	-1.129	-1.310	-0.867

	C1	S2	S3	H4	H5	H6	H7
C1		1.8289	1.8289	1.0860	1.0860	2.3855	2.3855
S2	1.8289		3.1182	2.4317	2.3603	1.3450	3.1585
S3	1.8289	3.1182		2.3603	2.4317	3.1585	1.3450
H4	1.0860	2.4317	2.3603		1.7592	2.6695	3.2866
H5	1.0860	2.3603	2.4317	1.7592		3.2866	2.6695
H6	2.3855	1.3450	3.1585	2.6695	3.2866		3.4574
H7	2.3855	3.1585	1.3450	3.2866	2.6695	3.4574

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.264	C1	S3	H7	96.264
S2	C1	S3	116.970	S2	C1	H4	110.466
S2	C1	H5	105.278	S3	C1	H4	105.278
S3	C1	H5	110.466	H4	C1	H5	108.181

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/TZVP

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)