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	hartrees
Energy at 0K	-997.631032
Energy at 298.15K	-997.635947
HF Energy	-997.035530
Nuclear repulsion energy	202.322442

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3224	3038	1.60
2	A	3164	2981	25.63
3	A	1524	1436	0.01
4	A	1412	1330	24.02
5	A	1277	1203	0.98
6	A	1096	1032	0.45
7	A	1005	947	8.45
8	A	705	664	16.26
9	A	267	252	0.56
10	A	120	113	0.89
11	B	3235	3048	6.08
12	B	3156	2974	4.60
13	B	1518	1431	10.99
14	B	1393	1313	43.13
15	B	1208	1138	1.42
16	B	938	884	15.08
17	B	735	692	19.35
18	B	423	398	6.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.292	0.699	0.893
C2	-0.292	-0.699	0.893
Cl3	-0.292	1.689	-0.471
Cl4	0.292	-1.689	-0.471
H5	-0.006	1.203	1.811
H6	1.378	0.666	0.840
H7	0.006	-1.203	1.811
H8	-1.378	-0.666	0.840

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5154	1.7838	2.7499	1.0887	1.0870	2.1311	2.1578
C2	1.5154		2.7499	1.7838	2.1311	2.1578	1.0887	1.0870
Cl3	1.7838	2.7499		3.4278	2.3503	2.3565	3.6955	2.9057
Cl4	2.7499	1.7838	3.4278		3.6955	2.9057	2.3503	2.3565
H5	1.0887	2.1311	2.3503	3.6955		1.7733	2.4060	2.5135
H6	1.0870	2.1578	2.3565	2.9057	1.7733		2.5135	3.0606
H7	2.1311	1.0887	3.6955	2.3503	2.4060	2.5135		1.7733
H8	2.1578	1.0870	2.9057	2.3565	2.5135	3.0606	1.7733

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	112.665	C1	C2	H7	108.740
C1	C2	H8	110.950	C2	C1	Cl3	112.665
C2	C1	H5	108.740	C2	C1	H6	110.950
Cl3	C1	H5	107.327	Cl3	C1	H6	107.866
Cl4	C2	H7	107.327	Cl4	C2	H8	107.866
H5	C1	H6	109.184	H7	C2	H8	109.184

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

using model chemistry: CCD/6-31+G**

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/6-31+G**

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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