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	hartrees
Energy at 0K	-28.046836
Energy at 298.15K
HF Energy	-27.678554
Nuclear repulsion energy	38.710805

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	245	232	6.03	15.41	0.64	0.78
2	A	309	294	25.78	13.74	0.72	0.83
3	A	666	632	5.29	18.37	0.14	0.24
4	A	924	877	4.96	10.22	0.52	0.68
5	A	1234	1171	1.22	21.35	0.73	0.85
6	A	1480	1405	1.34	15.07	0.73	0.84
7	A	2763	2624	2.32	133.51	0.16	0.28
8	A	3138	2979	18.24	97.68	0.09	0.17
9	B	265	252	49.80	5.25	0.75	0.86
10	B	740	703	1.61	1.24	0.75	0.86
11	B	801	760	30.80	10.72	0.75	0.86
12	B	1036	984	29.35	6.29	0.75	0.86
13	B	1307	1241	31.83	1.88	0.75	0.86
14	B	2763	2624	9.03	94.80	0.75	0.86
15	B	3216	3053	3.95	59.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.788
S2	0.000	1.557	-0.183
S3	0.000	-1.557	-0.183
H4	0.891	-0.054	1.433
H5	-0.891	0.054	1.433
H6	1.132	1.296	-0.875
H7	-1.132	-1.296	-0.875

	C1	S2	S3	H4	H5	H6	H7
C1		1.8348	1.8348	1.1015	1.1015	2.3932	2.3932
S2	1.8348		3.1144	2.4495	2.3794	1.3527	3.1469
S3	1.8348	3.1144		2.3794	2.4495	3.1469	1.3527
H4	1.1015	2.4495	2.3794		1.7861	2.6847	3.3110
H5	1.1015	2.3794	2.4495	1.7861		3.3110	2.6847
H6	2.3932	1.3527	3.1469	2.6847	3.3110		3.4419
H7	2.3932	3.1469	1.3527	3.3110	2.6847	3.4419

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.144	C1	S3	H7	96.144
S2	C1	S3	116.144	S2	C1	H4	110.576
S2	C1	H5	105.526	S3	C1	H4	105.526
S3	C1	H5	110.576	H4	C1	H5	108.345

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: MP2/CEP-31G*

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/CEP-31G*

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)