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	hartrees
Energy at 0K	-90.074486
Energy at 298.15K	-90.077966
HF Energy	-89.239679
Nuclear repulsion energy	135.981360

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	3045	25.56
2	A'	3195	3033	2.84
3	A'	1449	1376	42.24
4	A'	1270	1206	1.31
5	A'	1153	1095	100.32
6	A'	1086	1031	55.41
7	A'	814	773	32.92
8	A'	568	539	7.46
9	A'	399	379	18.17
10	A'	347	329	11.76
11	A'	252	240	0.29
12	A"	1388	1318	12.69
13	A"	1270	1205	21.00
14	A"	1136	1078	178.70
15	A"	863	819	126.38
16	A"	397	377	0.77
17	A"	181	172	1.52
18	A"	77	73	0.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.413	-0.237	0.000
C2	-0.365	1.102	0.000
H3	1.502	-0.071	0.000
H4	-1.453	0.936	0.000
Cl5	-0.007	-1.148	1.479
Cl6	-0.007	-1.148	-1.479
F7	-0.007	1.831	1.104
F8	-0.007	1.831	-1.104

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5484	1.1009	2.2043	1.7866	1.7866	2.3814	2.3814
C2	1.5484		2.2043	1.1009	2.7156	2.7156	1.3709	1.3709
H3	1.1009	2.2043		3.1216	2.3707	2.3707	2.6666	2.6666
H4	2.2043	1.1009	3.1216		2.9359	2.9359	2.0281	2.0281
Cl5	1.7866	2.7156	2.3707	2.9359		2.9570	3.0020	3.9424
Cl6	1.7866	2.7156	2.3707	2.9359	2.9570		3.9424	3.0020
F7	2.3814	1.3709	2.6666	2.0281	3.0020	3.9424		2.2086
F8	2.3814	1.3709	2.6666	2.0281	3.9424	3.0020	2.2086

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.501	C1	C2	F7	109.172
C1	C2	F8	109.172	C2	C1	H3	111.501
C2	C1	Cl5	108.822	C2	C1	Cl6	108.822
H3	C1	Cl5	108.012	H3	C1	Cl6	108.012
H4	C2	F7	109.788	H4	C2	F8	109.788
Cl5	C1	Cl6	111.694	F7	C2	F8	107.321

All results from a given calculation for CHCl₂CHF₂ (1,1-dichloro-2,2-difluoroethane)

using model chemistry: MP2/CEP-31G*

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 CHCl2CHF2 (1,1-dichloro-2,2-difluoroethane)

using model chemistry: MP2/CEP-31G*

States and conformations

All results from a given calculation for CHCl₂CHF₂ (1,1-dichloro-2,2-difluoroethane)