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	hartrees
Energy at 0K	-993.691863
Energy at 298.15K	-993.696587
HF Energy	-993.595222
Nuclear repulsion energy	196.212444

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3228	3073	0.04
2	A	3157	3006	6.51
3	A	1535	1461	0.72
4	A	1364	1299	16.97
5	A	1240	1180	0.72
6	A	1048	998	2.37
7	A	944	898	11.88
8	A	604	575	21.79
9	A	262	250	1.42
10	A	105	100	1.34
11	B	3240	3085	0.21
12	B	3151	2999	1.40
13	B	1539	1465	17.16
14	B	1344	1280	38.67
15	B	1182	1125	0.71
16	B	894	851	19.30
17	B	627	596	27.94
18	B	401	381	11.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.321	0.683	0.955
C2	-0.321	-0.683	0.955
Cl3	-0.321	1.725	-0.495
Cl4	0.321	-1.725	-0.495
H5	0.043	1.242	1.847
H6	1.399	0.639	0.834
H7	-0.043	-1.242	1.847
H8	-1.399	-0.639	0.834

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5091	1.8971	2.8108	1.0886	1.0855	2.1525	2.1723
C2	1.5091		2.8108	1.8971	2.1525	2.1723	1.0886	1.0855
Cl3	1.8971	2.8108		3.5092	2.4185	2.4291	3.7900	2.9186
Cl4	2.8108	1.8971	3.5092		3.7900	2.9186	2.4185	2.4291
H5	1.0886	2.1525	2.4185	3.7900		1.7963	2.4854	2.5773
H6	1.0855	2.1723	2.4291	2.9186	1.7963		2.5773	3.0755
H7	2.1525	1.0886	3.7900	2.4185	2.4854	2.5773		1.7963
H8	2.1723	1.0855	2.9186	2.4291	2.5773	3.0755	1.7963

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	110.702	C1	C2	H7	110.873
C1	C2	H8	112.684	C2	C1	Cl3	110.702
C2	C1	H5	110.873	C2	C1	H6	112.684
Cl3	C1	H5	104.938	Cl3	C1	H6	105.826
Cl4	C2	H7	104.938	Cl4	C2	H8	105.826
H5	C1	H6	111.425	H7	C2	H8	111.425

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

using model chemistry: B2PLYP=FULL/3-21G

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: B2PLYP=FULL/3-21G

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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