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	hartrees
Energy at 0K	-874.797512
Energy at 298.15K	-874.803744
HF Energy	-874.254008
Nuclear repulsion energy	203.157716

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3156	2955	0.00
2	A_g	2830	2650	0.00
3	A_g	1552	1454	0.00
4	A_g	1401	1312	0.00
5	A_g	1145	1073	0.00
6	A_g	942	883	0.00
7	A_g	780	730	0.00
8	A_g	293	274	0.00
9	A_u	3237	3031	10.03
10	A_u	1179	1104	4.87
11	A_u	808	757	2.49
12	A_u	145	135	18.26
13	A_u	79	74	38.61
14	B_g	3218	3014	0.00
15	B_g	1346	1261	0.00
16	B_g	1024	959	0.00
17	B_g	145	135	0.00
18	B_u	3163	2963	23.74
19	B_u	2830	2650	18.86
20	B_u	1554	1455	5.52
21	B_u	1301	1218	59.79
22	B_u	932	873	6.84
23	B_u	766	718	4.13
24	B_u	207	194	8.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.760	0.000
C2	0.000	-0.760	0.000
S3	1.730	-1.336	0.000
S4	-1.730	1.336	0.000
H5	1.446	-2.637	0.000
H6	-1.446	2.637	0.000
H7	-0.514	-1.130	0.885
H8	-0.514	-1.130	-0.885
H9	0.514	1.130	0.885
H10	0.514	1.130	-0.885

	C1	C2	S3	S4	H5	H6	H7	H8	H9	H10
C1		1.5200	2.7179	1.8233	3.6924	2.3698	2.1492	2.1492	1.0885	1.0885
C2	1.5200		1.8233	2.7179	2.3698	3.6924	1.0885	1.0885	2.1492	2.1492
S3	2.7179	1.8233		4.3718	1.3315	5.0870	2.4213	2.4213	2.8883	2.8883
S4	1.8233	2.7179	4.3718		5.0870	1.3315	2.8883	2.8883	2.4213	2.4213
H5	3.6924	2.3698	1.3315	5.0870		6.0157	2.6270	2.6270	3.9802	3.9802
H6	2.3698	3.6924	5.0870	1.3315	6.0157		3.9802	3.9802	2.6270	2.6270
H7	2.1492	1.0885	2.4213	2.8883	2.6270	3.9802		1.7706	2.4824	3.0492
H8	2.1492	1.0885	2.4213	2.8883	2.6270	3.9802	1.7706		3.0492	2.4824
H9	1.0885	2.1492	2.8883	2.4213	3.9802	2.6270	2.4824	3.0492		1.7706
H10	1.0885	2.1492	2.8883	2.4213	3.9802	2.6270	3.0492	2.4824	1.7706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	108.428	C1	C2	H7	109.849
C1	C2	H8	109.849	C1	S4	H6	96.132
C2	C1	S4	108.428	C2	C1	H9	109.849
C2	C1	H10	109.849	C2	S3	H5	96.132
S3	C2	H7	109.936	S3	C2	H8	109.936
S4	C1	H9	109.936	S4	C1	H10	109.936
H7	C2	H8	108.835	H9	C1	H10	108.835

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

using model chemistry: MP2/6-31G**

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 CH2SHCH2SH (1,2-Ethanedithiol)

using model chemistry: MP2/6-31G**

States and conformations

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