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	hartrees
Energy at 0K	-870.210839
Energy at 298.15K	-870.216936
HF Energy	-869.897507
Nuclear repulsion energy	196.764949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3142	3000	0.00
2	A_g	2467	2355	0.00
3	A_g	1575	1504	0.00
4	A_g	1385	1322	0.00
5	A_g	1090	1040	0.00
6	A_g	862	823	0.00
7	A_g	702	670	0.00
8	A_g	274	261	0.00
9	A_u	3224	3078	6.99
10	A_u	1180	1126	1.69
11	A_u	805	769	5.07
12	A_u	137	131	42.39
13	A_u	93	89	32.71
14	B_g	3202	3058	0.00
15	B_g	1378	1316	0.00
16	B_g	976	932	0.00
17	B_g	147	140	0.00
18	B_u	3152	3009	11.06
19	B_u	2468	2356	57.66
20	B_u	1577	1506	8.98
21	B_u	1304	1245	53.16
22	B_u	863	824	10.65
23	B_u	667	637	9.79
24	B_u	199	190	10.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.764	0.000
C2	0.000	-0.764	0.000
S3	1.833	-1.335	0.000
S4	-1.833	1.335	0.000
H5	1.570	-2.683	0.000
H6	-1.570	2.683	0.000
H7	-0.485	-1.153	0.896
H8	-0.485	-1.153	-0.896
H9	0.485	1.153	0.896
H10	0.485	1.153	-0.896

	C1	C2	S3	S4	H5	H6	H7	H8	H9	H10
C1		1.5289	2.7866	1.9192	3.7882	2.4791	2.1713	2.1713	1.0902	1.0902
C2	1.5289		1.9192	2.7866	2.4791	3.7882	1.0902	1.0902	2.1713	2.1713
S3	2.7866	1.9192		4.5343	1.3735	5.2651	2.4911	2.4911	2.9679	2.9679
S4	1.9192	2.7866	4.5343		5.2651	1.3735	2.9679	2.9679	2.4911	2.4911
H5	3.7882	2.4791	1.3735	5.2651		6.2174	2.7141	2.7141	4.0861	4.0861
H6	2.4791	3.7882	5.2651	1.3735	6.2174		4.0861	4.0861	2.7141	2.7141
H7	2.1713	1.0902	2.4911	2.9679	2.7141	4.0861		1.7917	2.5016	3.0771
H8	2.1713	1.0902	2.4911	2.9679	2.7141	4.0861	1.7917		3.0771	2.5016
H9	1.0902	2.1713	2.9679	2.4911	4.0861	2.7141	2.5016	3.0771		1.7917
H10	1.0902	2.1713	2.9679	2.4911	4.0861	2.7141	3.0771	2.5016	1.7917

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	107.289	C1	C2	H7	110.879
C1	C2	H8	110.879	C1	S4	H6	96.274
C2	C1	S4	107.289	C2	C1	H9	110.879
C2	C1	H10	110.879	C2	S3	H5	96.274
S3	C2	H7	108.584	S3	C2	H8	108.584
S4	C1	H9	108.584	S4	C1	H10	108.584
H7	C2	H8	110.514	H9	C1	H10	110.514

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

using model chemistry: MP2=FULL/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=FULL/3-21G

States and conformations

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