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	hartrees
Energy at 0K	-836.169334
Energy at 298.15K
HF Energy	-835.290024
Nuclear repulsion energy	143.002490

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	226	213	3.63	3.43	0.40	0.57
2	A	303	286	7.65	0.79	0.15	0.25
3	A	664	626	2.40	13.31	0.13	0.23
4	A	925	872	4.46	7.39	0.08	0.15
5	A	1223	1153	0.53	3.99	0.65	0.79
6	A	1476	1392	1.49	8.87	0.62	0.77
7	A	2760	2602	0.31	130.46	0.06	0.11
8	A	3120	2941	4.12	98.17	0.06	0.12
9	B	247	232	32.57	0.12	0.75	0.86
10	B	728	687	0.71	0.52	0.75	0.86
11	B	806	760	17.98	5.06	0.75	0.86
12	B	1018	959	18.55	0.91	0.75	0.86
13	B	1274	1201	20.49	0.03	0.75	0.86
14	B	2759	2601	0.53	47.94	0.75	0.86
15	B	3181	2999	1.94	53.70	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.777
S2	0.000	1.527	-0.178
S3	0.000	-1.527	-0.178
H4	0.877	-0.055	1.416
H5	-0.877	0.055	1.416
H6	1.088	1.241	-0.895
H7	-1.088	-1.241	-0.895

	C1	S2	S3	H4	H5	H6	H7
C1		1.8009	1.8009	1.0863	1.0863	2.3489	2.3489
S2	1.8009		3.0537	2.4108	2.3400	1.3341	3.0589
S3	1.8009	3.0537		2.3400	2.4108	3.0589	1.3341
H4	1.0863	2.4108	2.3400		1.7567	2.6575	3.2566
H5	1.0863	2.3400	2.4108	1.7567		3.2566	2.6575
H6	2.3489	1.3341	3.0589	2.6575	3.2566		3.3005
H7	2.3489	3.0589	1.3341	3.2566	2.6575	3.3005

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.905	C1	S3	H7	95.905
S2	C1	S3	115.954	S2	C1	H4	110.789
S2	C1	H5	105.606	S3	C1	H4	105.606
S3	C1	H5	110.789	H4	C1	H5	107.921

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: MP2=FULL/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)