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	hartrees
Energy at 0K	-870.544118
Energy at 298.15K	-870.550424
HF Energy	-870.117270
Nuclear repulsion energy	201.259233

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3115	2964	0.00
2	A_g	2780	2645	0.00
3	A_g	1584	1507	0.00
4	A_g	1404	1335	0.00
5	A_g	1100	1046	0.00
6	A_g	897	853	0.00
7	A_g	755	718	0.00
8	A_g	292	278	0.00
9	A_u	3189	3033	8.18
10	A_u	1205	1146	3.87
11	A_u	823	783	4.16
12	A_u	160	152	41.98
13	A_u	95	91	23.58
14	B_g	3167	3013	0.00
15	B_g	1377	1310	0.00
16	B_g	1028	978	0.00
17	B_g	171	163	0.00
18	B_u	3125	2973	17.51
19	B_u	2781	2645	15.00
20	B_u	1587	1510	8.23
21	B_u	1327	1263	44.33
22	B_u	934	889	5.01
23	B_u	726	691	6.57
24	B_u	213	202	8.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.774	0.000
C2	0.000	-0.774	0.000
S3	1.750	-1.342	0.000
S4	-1.750	1.342	0.000
H5	1.481	-2.654	0.000
H6	-1.481	2.654	0.000
H7	-0.512	-1.141	0.893
H8	-0.512	-1.141	-0.893
H9	0.512	1.141	0.893
H10	0.512	1.141	-0.893

	C1	C2	S3	S4	H5	H6	H7	H8	H9	H10
C1		1.5482	2.7462	1.8400	3.7341	2.3929	2.1744	2.1744	1.0927	1.0927
C2	1.5482		1.8400	2.7462	2.3929	3.7341	1.0927	1.0927	2.1744	2.1744
S3	2.7462	1.8400		4.4111	1.3390	5.1388	2.4400	2.4400	2.9153	2.9153
S4	1.8400	2.7462	4.4111		5.1388	1.3390	2.9153	2.9153	2.4400	2.4400
H5	3.7341	2.3929	1.3390	5.1388		6.0780	2.6561	2.6561	4.0174	4.0174
H6	2.3929	3.7341	5.1388	1.3390	6.0780		4.0174	4.0174	2.6561	2.6561
H7	2.1744	1.0927	2.4400	2.9153	2.6561	4.0174		1.7857	2.5016	3.0736
H8	2.1744	1.0927	2.4400	2.9153	2.6561	4.0174	1.7857		3.0736	2.5016
H9	1.0927	2.1744	2.9153	2.4400	4.0174	2.6561	2.5016	3.0736		1.7857
H10	1.0927	2.1744	2.9153	2.4400	4.0174	2.6561	3.0736	2.5016	1.7857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	107.986	C1	C2	H7	109.636
C1	C2	H8	109.636	C1	S4	H6	96.378
C2	C1	S4	107.986	C2	C1	H9	109.636
C2	C1	H10	109.636	C2	S3	H5	96.378
S3	C2	H7	109.982	S3	C2	H8	109.982
S4	C1	H9	109.982	S4	C1	H10	109.982
H7	C2	H8	109.596	H9	C1	H10	109.596

All results from a given calculation for CH₂SHCH₂SH (1,2-Ethanedithiol)

using model chemistry: MP2/3-21G*

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 CH2SHCH2SH (1,2-Ethanedithiol)

using model chemistry: MP2/3-21G*

States and conformations

All results from a given calculation for CH₂SHCH₂SH (1,2-Ethanedithiol)