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	hartrees
Energy at 0K	-835.686343
Energy at 298.15K
HF Energy	-835.217438
Nuclear repulsion energy	142.036197

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3188	2970	8.49
2	A	2819	2626	2.33
3	A	1497	1395	1.07
4	A	1255	1170	1.09
5	A	957	891	6.41
6	A	673	627	3.10
7	A	325	303	16.78
8	A	254	236	2.15
9	B	3250	3028	1.14
10	B	2818	2625	6.31
11	B	1343	1252	25.25
12	B	1064	991	35.45
13	B	811	756	17.64
14	B	759	707	0.72
15	B	277	258	41.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.780
S2	0.000	1.541	-0.179
S3	0.000	-1.541	-0.179
H4	0.874	-0.056	1.421
H5	-0.874	0.056	1.421
H6	1.092	1.263	-0.889
H7	-1.092	-1.263	-0.889

	C1	S2	S3	H4	H5	H6	H7
C1		1.8152	1.8152	1.0850	1.0850	2.3607	2.3607
S2	1.8152		3.0819	2.4236	2.3517	1.3315	3.0918
S3	1.8152	3.0819		2.3517	2.4236	3.0918	1.3315
H4	1.0850	2.4236	2.3517		1.7506	2.6687	3.2645
H5	1.0850	2.3517	2.4236	1.7506		3.2645	2.6687
H6	2.3607	1.3315	3.0918	2.6687	3.2645		3.3399
H7	2.3607	3.0918	1.3315	3.2645	2.6687	3.3399

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.997	C1	S3	H7	95.997
S2	C1	S3	116.190	S2	C1	H4	110.847
S2	C1	H5	105.588	S3	C1	H4	105.588
S3	C1	H5	110.847	H4	C1	H5	107.560

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: MP3=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: MP3=FULL/6-31+G**

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)