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	hartrees
Energy at 0K	-874.712505
Energy at 298.15K	-874.718844
HF Energy	-874.240261
Nuclear repulsion energy	202.990209

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3190	2947	0.00
2	A_g	2834	2618	0.00
3	A_g	1588	1467	0.00
4	A_g	1445	1335	0.00
5	A_g	1166	1077	0.00
6	A_g	965	892	0.00
7	A_g	789	729	0.00
8	A_g	299	276	0.00
9	A_u	3261	3012	10.98
10	A_u	1209	1116	4.39
11	A_u	822	760	3.02
12	A_u	155	143	29.03
13	A_u	91	84	31.86
14	B_g	3241	2994	0.00
15	B_g	1378	1273	0.00
16	B_g	1045	966	0.00
17	B_g	163	150	0.00
18	B_u	3196	2952	26.36
19	B_u	2833	2617	36.30
20	B_u	1590	1468	6.61
21	B_u	1341	1238	58.84
22	B_u	954	881	7.87
23	B_u	781	722	5.82
24	B_u	213	197	8.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.761	0.000
C2	0.000	-0.761	0.000
S3	1.727	-1.343	0.000
S4	-1.727	1.343	0.000
H5	1.452	-2.651	0.000
H6	-1.452	2.651	0.000
H7	-0.513	-1.133	0.884
H8	-0.513	-1.133	-0.884
H9	0.513	1.133	0.884
H10	0.513	1.133	-0.884

	C1	C2	S3	S4	H5	H6	H7	H8	H9	H10
C1		1.5214	2.7219	1.8228	3.7076	2.3834	2.1516	2.1516	1.0876	1.0876
C2	1.5214		1.8228	2.7219	2.3834	3.7076	1.0876	1.0876	2.1516	2.1516
S3	2.7219	1.8228		4.3758	1.3363	5.1047	2.4174	2.4174	2.8957	2.8957
S4	1.8228	2.7219	4.3758		5.1047	1.3363	2.8957	2.8957	2.4174	2.4174
H5	3.7076	2.3834	1.3363	5.1047		6.0448	2.6358	2.6358	3.9972	3.9972
H6	2.3834	3.7076	5.1047	1.3363	6.0448		3.9972	3.9972	2.6358	2.6358
H7	2.1516	1.0876	2.4174	2.8957	2.6358	3.9972		1.7682	2.4866	3.0512
H8	2.1516	1.0876	2.4174	2.8957	2.6358	3.9972	1.7682		3.0512	2.4866
H9	1.0876	2.1516	2.8957	2.4174	3.9972	2.6358	2.4866	3.0512		1.7682
H10	1.0876	2.1516	2.8957	2.4174	3.9972	2.6358	3.0512	2.4866	1.7682

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	108.629	C1	C2	H7	109.995
C1	C2	H8	109.995	C1	S4	H6	96.748
C2	C1	S4	108.629	C2	C1	H9	109.995
C2	C1	H10	109.995	C2	S3	H5	96.748
S3	C2	H7	109.729	S3	C2	H8	109.729
S4	C1	H9	109.729	S4	C1	H10	109.729
H7	C2	H8	108.755	H9	C1	H10	108.755

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

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

States and conformations

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