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	hartrees
Energy at 0K	-835.728378
Energy at 298.15K
HF Energy	-835.252023
Nuclear repulsion energy	140.788733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3111	3111	12.89
2	A	2745	2745	2.64
3	A	1459	1459	0.41
4	A	1210	1210	0.63
5	A	914	914	3.67
6	A	648	648	2.71
7	A	301	301	13.30
8	A	233	233	5.20
9	B	3174	3174	2.08
10	B	2744	2744	5.32
11	B	1271	1271	25.11
12	B	1018	1018	17.82
13	B	789	789	19.44
14	B	719	719	0.68
15	B	261	261	38.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.784
S2	0.000	1.553	-0.181
S3	0.000	-1.553	-0.181
H4	0.888	-0.056	1.433
H5	-0.888	0.056	1.433
H6	1.113	1.271	-0.892
H7	-1.113	-1.271	-0.892

	C1	S2	S3	H4	H5	H6	H7
C1		1.8288	1.8288	1.1015	1.1015	2.3797	2.3797
S2	1.8288		3.1066	2.4462	2.3743	1.3505	3.1176
S3	1.8288	3.1066		2.3743	2.4462	3.1176	1.3505
H4	1.1015	2.4462	2.3743		1.7803	2.6861	3.2996
H5	1.1015	2.3743	2.4462	1.7803		3.2996	2.6861
H6	2.3797	1.3505	3.1176	2.6861	3.2996		3.3785
H7	2.3797	3.1176	1.3505	3.2996	2.6861	3.3785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.744	C1	S3	H7	95.744
S2	C1	S3	116.281	S2	C1	H4	110.725
S2	C1	H5	105.540	S3	C1	H4	105.540
S3	C1	H5	110.725	H4	C1	H5	107.827

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CCSD=FULL/cc-pVDZ

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: CCSD=FULL/cc-pVDZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)