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	hartrees
Energy at 0K	-835.822645
Energy at 298.15K
HF Energy	-835.230946
Nuclear repulsion energy	142.296573

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3145	2961	4.93
2	A	2759	2598	0.19
3	A	1499	1411	0.99
4	A	1239	1167	0.50
5	A	930	876	4.30
6	A	666	627	3.17
7	A	304	286	12.47
8	A	233	220	4.72
9	B	3204	3017	0.58
10	B	2758	2597	0.27
11	B	1298	1222	22.81
12	B	1034	974	19.80
13	B	814	767	17.30
14	B	731	688	0.58
15	B	251	237	35.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.778
S2	0.000	1.536	-0.179
S3	0.000	-1.536	-0.179
H4	0.876	-0.052	1.420
H5	-0.876	0.052	1.420
H6	1.095	1.262	-0.896
H7	-1.095	-1.262	-0.896

	C1	S2	S3	H4	H5	H6	H7
C1		1.8096	1.8096	1.0875	1.0875	2.3654	2.3654
S2	1.8096		3.0720	2.4179	2.3507	1.3376	3.0891
S3	1.8096	3.0720		2.3507	2.4179	3.0891	1.3376
H4	1.0875	2.4179	2.3507		1.7552	2.6724	3.2734
H5	1.0875	2.3507	2.4179	1.7552		3.2734	2.6724
H6	2.3654	1.3376	3.0891	2.6724	3.2734		3.3416
H7	2.3654	3.0891	1.3376	3.2734	2.6724	3.3416

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.301	C1	S3	H7	96.301
S2	C1	S3	116.166	S2	C1	H4	110.668
S2	C1	H5	105.755	S3	C1	H4	105.755
S3	C1	H5	110.668	H4	C1	H5	107.603

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CCSD=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)