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	hartrees
Energy at 0K	-997.677932
Energy at 298.15K	-997.682816
HF Energy	-997.076082
Nuclear repulsion energy	201.321418

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3180	3042	1.78
2	A	3120	2985	25.79
3	A	1481	1417	0.23
4	A	1363	1304	20.37
5	A	1245	1191	0.84
6	A	1078	1032	1.19
7	A	978	936	8.62
8	A	696	666	15.56
9	A	266	255	0.64
10	A	120	115	0.85
11	B	3190	3052	7.56
12	B	3110	2975	4.63
13	B	1476	1412	7.79
14	B	1336	1278	37.49
15	B	1174	1123	0.90
16	B	914	874	14.15
17	B	723	692	18.85
18	B	418	400	6.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.297	0.701	0.896
C2	-0.297	-0.701	0.896
Cl3	-0.297	1.694	-0.473
Cl4	0.297	-1.694	-0.473
H5	0.004	1.217	1.826
H6	1.395	0.664	0.833
H7	-0.004	-1.217	1.826
H8	-1.395	-0.664	0.833

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5223	1.7925	2.7589	1.1027	1.1010	2.1526	2.1745
C2	1.5223		2.7589	1.7925	2.1526	2.1745	1.1027	1.1010
Cl3	1.7925	2.7589		3.4397	2.3667	2.3725	3.7210	2.9108
Cl4	2.7589	1.7925	3.4397		3.7210	2.9108	2.3667	2.3725
H5	1.1027	2.1526	2.3667	3.7210		1.7965	2.4346	2.5457
H6	1.1010	2.1745	2.3725	2.9108	1.7965		2.5457	3.0900
H7	2.1526	1.1027	3.7210	2.3667	2.4346	2.5457		1.7965
H8	2.1745	1.1010	2.9108	2.3725	2.5457	3.0900	1.7965

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.417	C1	C2	H7	109.130
C1	C2	H8	110.958	C2	C1	Cl3	112.417
C2	C1	H5	109.130	C2	C1	H6	110.958
Cl3	C1	H5	107.248	Cl3	C1	H6	107.755
Cl4	C2	H7	107.248	Cl4	C2	H8	107.755
H5	C1	H6	109.221	H7	C2	H8	109.221

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

using model chemistry: CCD/cc-pVDZ

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

	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: CCD/cc-pVDZ

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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