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	hartrees
Energy at 0K	-997.648433
Energy at 298.15K	-997.653228
HF Energy	-997.095203
Nuclear repulsion energy	195.202636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3141	2985	0.00
2	A_g	1523	1447	0.00
3	A_g	1406	1336	0.00
4	A_g	1103	1048	0.00
5	A_g	823	782	0.00
6	A_g	314	298	0.00
7	A_u	3227	3067	4.83
8	A_u	1208	1148	4.69
9	A_u	801	761	3.87
10	A_u	132	126	6.78
11	B_g	3206	3047	0.00
12	B_g	1344	1278	0.00
13	B_g	1062	1009	0.00
14	B_u	3148	2992	18.40
15	B_u	1524	1448	7.27
16	B_u	1321	1256	39.20
17	B_u	779	740	80.74
18	B_u	223	212	9.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.474	0.590	0.000
C2	-0.474	-0.590	0.000
Cl3	-0.474	2.103	0.000
Cl4	0.474	-2.103	0.000
H5	1.102	0.587	0.890
H6	1.102	0.587	-0.890
H7	-1.102	-0.587	0.890
H8	-1.102	-0.587	-0.890

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5137	1.7844	2.6930	1.0890	1.0890	2.1583	2.1583
C2	1.5137		2.6930	1.7844	2.1583	2.1583	1.0890	1.0890
Cl3	1.7844	2.6930		4.3107	2.3605	2.3605	2.9013	2.9013
Cl4	2.6930	1.7844	4.3107		2.9013	2.9013	2.3605	2.3605
H5	1.0890	2.1583	2.3605	2.9013		1.7790	2.4964	3.0655
H6	1.0890	2.1583	2.3605	2.9013	1.7790		3.0655	2.4964
H7	2.1583	1.0890	2.9013	2.3605	2.4964	3.0655		1.7790
H8	2.1583	1.0890	2.9013	2.3605	3.0655	2.4964	1.7790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	109.204	C1	C2	H7	110.991
C1	C2	H8	110.991	C2	C1	Cl3	109.204
C2	C1	H5	110.991	C2	C1	H6	110.991
Cl3	C1	H5	108.013	Cl3	C1	H6	108.013
Cl4	C2	H7	108.013	Cl4	C2	H8	108.013
H5	C1	H6	109.533	H7	C2	H8	109.533

All results from a given calculation for CH₂ClCH₂Cl (Ethane, 1,2-dichloro-)

using model chemistry: MP2/6-311G*

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 CH2ClCH2Cl (Ethane, 1,2-dichloro-)

using model chemistry: MP2/6-311G*

States and conformations

All results from a given calculation for CH₂ClCH₂Cl (Ethane, 1,2-dichloro-)