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	hartrees
Energy at 0K	-836.635171
Energy at 298.15K
HF Energy	-836.428621
Nuclear repulsion energy	141.048981

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	242	242	7.89	11.95	0.63	0.78
2	A	302	302	17.78	10.68	0.69	0.82
3	A	643	643	2.75	15.23	0.17	0.29
4	A	919	919	5.87	7.46	0.44	0.61
5	A	1247	1247	2.77	14.46	0.67	0.80
6	A	1483	1483	2.20	13.57	0.72	0.84
7	A	2658	2658	2.36	141.03	0.18	0.30
8	A	3112	3112	10.91	97.35	0.10	0.19
9	B	263	263	44.36	2.93	0.75	0.86
10	B	723	723	3.25	0.45	0.75	0.86
11	B	759	759	35.62	10.02	0.75	0.86
12	B	1035	1035	35.70	5.20	0.75	0.86
13	B	1309	1309	26.79	1.29	0.75	0.86
14	B	2658	2658	7.76	101.81	0.75	0.86
15	B	3169	3169	1.78	68.62	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.771
S2	0.000	1.555	-0.180
S3	0.000	-1.555	-0.180
H4	0.876	-0.055	1.414
H5	-0.876	0.055	1.414
H6	1.142	1.316	-0.853
H7	-1.142	-1.316	-0.853

	C1	S2	S3	H4	H5	H6	H7
C1		1.8230	1.8230	1.0879	1.0879	2.3818	2.3818
S2	1.8230		3.1103	2.4290	2.3576	1.3467	3.1621
S3	1.8230	3.1103		2.3576	2.4290	3.1621	1.3467
H4	1.0879	2.4290	2.3576		1.7557	2.6623	3.2863
H5	1.0879	2.3576	2.4290	1.7557		3.2863	2.6623
H6	2.3818	1.3467	3.1621	2.6623	3.2863		3.4841
H7	2.3818	3.1621	1.3467	3.2863	2.6623	3.4841

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.267	C1	S3	H7	96.267
S2	C1	S3	117.098	S2	C1	H4	110.563
S2	C1	H5	105.375	S3	C1	H4	105.375
S3	C1	H5	110.563	H4	C1	H5	107.593

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: B2PLYP=FULL/6-311G*

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: B2PLYP=FULL/6-311G*

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)