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	hartrees
Energy at 0K	-90.728333
Energy at 298.15K	-90.731660
HF Energy	-90.728333
Nuclear repulsion energy	135.283180

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3161	3053	27.59
2	A'	3141	3033	1.72
3	A'	1399	1351	41.17
4	A'	1238	1196	1.79
5	A'	1112	1074	136.87
6	A'	1055	1019	24.46
7	A'	774	748	35.92
8	A'	558	539	8.45
9	A'	387	373	17.29
10	A'	332	320	9.70
11	A'	241	233	0.41
12	A"	1363	1316	10.88
13	A"	1234	1191	18.96
14	A"	1110	1072	175.68
15	A"	787	760	156.54
16	A"	380	367	2.63
17	A"	175	169	1.28
18	A"	69	67	0.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.414	-0.230	0.000
C2	-0.366	1.115	0.000
H3	1.502	-0.069	0.000
H4	-1.453	0.954	0.000
Cl5	-0.007	-1.158	1.493
Cl6	-0.007	-1.158	-1.493
F7	-0.007	1.843	1.104
F8	-0.007	1.843	-1.104

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5546	1.0997	2.2113	1.8072	1.8072	2.3864	2.3864
C2	1.5546		2.2113	1.0997	2.7424	2.7424	1.3708	1.3708
H3	1.0997	2.2113		3.1276	2.3852	2.3852	2.6744	2.6744
H4	2.2113	1.0997	3.1276		2.9631	2.9631	2.0258	2.0258
Cl5	1.8072	2.7424	2.3852	2.9631		2.9860	3.0255	3.9686
Cl6	1.8072	2.7424	2.3852	2.9631	2.9860		3.9686	3.0255
F7	2.3864	1.3708	2.6744	2.0258	3.0255	3.9686		2.2089
F8	2.3864	1.3708	2.6744	2.0258	3.9686	3.0255	2.2089

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.690	C1	C2	F7	109.163
C1	C2	F8	109.163	C2	C1	H3	111.690
C2	C1	Cl5	109.095	C2	C1	Cl6	109.095
H3	C1	Cl5	107.780	H3	C1	Cl6	107.780
H4	C2	F7	109.681	H4	C2	F8	109.681
Cl5	C1	Cl6	111.412	F7	C2	F8	107.360

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	-0.140
2	C	0.056
3	H	0.260
4	H	0.209
5	Cl	-0.058
6	Cl	-0.058
7	F	-0.135
8	F	-0.135

	x	y	z	Total
	-0.157	-0.302	0.000	0.340
CHELPG
AIM
ESP

	x	y	z
x	4.452	0.199	0.000
y	0.199	6.236	0.000
z	0.000	0.000	8.252

<r²>	155.577
(<r²>)^1/2	12.473

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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