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	hartrees
Energy at 0K	-835.649658
Energy at 298.15K
HF Energy	-835.217352
Nuclear repulsion energy	142.271045

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	256	240	1.83	4.98	0.44	0.62
2	A	332	312	18.34	0.15	0.09	0.17
3	A	674	633	3.30	14.09	0.17	0.30
4	A	950	893	6.99	7.20	0.18	0.30
5	A	1249	1173	1.20	17.65	0.62	0.76
6	A	1484	1394	1.20	11.55	0.71	0.83
7	A	2833	2661	1.05	126.22	0.12	0.21
8	A	3168	2975	7.47	89.77	0.10	0.18
9	B	285	267	46.08	0.23	0.75	0.86
10	B	757	711	0.86	1.09	0.75	0.86
11	B	811	762	20.08	9.20	0.75	0.86
12	B	1055	991	34.36	3.14	0.75	0.86
13	B	1333	1252	26.38	1.96	0.75	0.86
14	B	2833	2660	3.10	71.21	0.75	0.86
15	B	3235	3039	0.86	61.79	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.778
S2	0.000	1.538	-0.179
S3	0.000	-1.538	-0.179
H4	0.874	-0.058	1.421
H5	-0.874	0.058	1.421
H6	1.091	1.257	-0.888
H7	-1.091	-1.257	-0.888

	C1	S2	S3	H4	H5	H6	H7
C1		1.8114	1.8114	1.0871	1.0871	2.3554	2.3554
S2	1.8114		3.0755	2.4236	2.3484	1.3310	3.0830
S3	1.8114	3.0755		2.3484	2.4236	3.0830	1.3310
H4	1.0871	2.4236	2.3484		1.7529	2.6667	3.2610
H5	1.0871	2.3484	2.4236	1.7529		3.2610	2.6667
H6	2.3554	1.3310	3.0830	2.6667	3.2610		3.3292
H7	2.3554	3.0830	1.3310	3.2610	2.6667	3.3292

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.892	C1	S3	H7	95.892
S2	C1	S3	116.187	S2	C1	H4	110.992
S2	C1	H5	105.492	S3	C1	H4	105.492
S3	C1	H5	110.992	H4	C1	H5	107.462

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: MP2=FULL/6-31+G**

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: MP2=FULL/6-31+G**

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)