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	hartrees
Energy at 0K	-999.041264
Energy at 298.15K	-999.045891
HF Energy	-999.041264
Nuclear repulsion energy	193.811091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3105	2996	0.00
2	A_g	1498	1446	0.00
3	A_g	1321	1275	0.00
4	A_g	1061	1024	0.00
5	A_g	750	724	0.00
6	A_g	294	284	0.00
7	A_u	3189	3077	3.68
8	A_u	1128	1089	1.21
9	A_u	770	743	2.28
10	A_u	119	115	7.27
11	B_g	3165	3054	0.00
12	B_g	1291	1246	0.00
13	B_g	1003	967	0.00
14	B_u	3112	3003	13.94
15	B_u	1499	1447	4.39
16	B_u	1243	1200	39.26
17	B_u	715	690	110.62
18	B_u	205	198	10.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.477	0.593	0.000
C2	-0.477	-0.593	0.000
Cl3	-0.477	2.115	0.000
Cl4	0.477	-2.115	0.000
H5	1.106	0.599	0.890
H6	1.106	0.599	-0.890
H7	-1.106	-0.599	0.890
H8	-1.106	-0.599	-0.890

	C1	C2	Cl3	Cl4	H5	H6	H7	H8
C1		1.5211	1.7965	2.7077	1.0902	1.0902	2.1718	2.1718
C2	1.5211		2.7077	1.7965	2.1718	2.1718	1.0902	1.0902
Cl3	1.7965	2.7077		4.3364	2.3659	2.3659	2.9245	2.9245
Cl4	2.7077	1.7965	4.3364		2.9245	2.9245	2.3659	2.3659
H5	1.0902	2.1718	2.3659	2.9245		1.7805	2.5152	3.0817
H6	1.0902	2.1718	2.3659	2.9245	1.7805		3.0817	2.5152
H7	2.1718	1.0902	2.9245	2.3659	2.5152	3.0817		1.7805
H8	2.1718	1.0902	2.9245	2.3659	3.0817	2.5152	1.7805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	109.126	C1	C2	H7	111.477
C1	C2	H8	111.477	C2	C1	Cl3	109.126
C2	C1	H5	111.477	C2	C1	H6	111.477
Cl3	C1	H5	107.557	Cl3	C1	H6	107.557
Cl4	C2	H7	107.557	Cl4	C2	H8	107.557
H5	C1	H6	109.489	H7	C2	H8	109.489

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

using model chemistry: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

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