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	hartrees
Energy at 0K	-831.332123
Energy at 298.15K
HF Energy	-831.073344
Nuclear repulsion energy	135.876574

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3121	3055
2	A	2398	2348
3	A	1510	1478
4	A	1210	1185
5	A	871	852
6	A	567	555
7	A	276	271
8	A	234	229
9	B	3193	3126
10	B	2398	2347
11	B	1275	1248
12	B	989	968
13	B	710	695
14	B	678	664
15	B	236	231

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.837
S2	0.000	1.611	-0.193
S3	0.000	-1.611	-0.193
H4	0.895	-0.051	1.460
H5	-0.895	0.051	1.460
H6	1.160	1.338	-0.888
H7	-1.160	-1.338	-0.888

	C1	S2	S3	H4	H5	H6	H7
C1		1.9123	1.9123	1.0914	1.0914	2.4724	2.4724
S2	1.9123		3.2222	2.5092	2.4427	1.3798	3.2446
S3	1.9123	3.2222		2.4427	2.5092	3.2446	1.3798
H4	1.0914	2.5092	2.4427		1.7922	2.7412	3.3754
H5	1.0914	2.4427	2.5092	1.7922		3.3754	2.7412
H6	2.4724	1.3798	3.2446	2.7412	3.3754		3.5423
H7	2.4724	3.2446	1.3798	3.3754	2.7412	3.5423

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.008	C1	S3	H7	96.008
S2	C1	S3	114.814	S2	C1	H4	110.301
S2	C1	H5	105.547	S3	C1	H4	105.547
S3	C1	H5	110.301	H4	C1	H5	110.381

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: MP4=FULL/3-21G

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: MP4=FULL/3-21G

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)