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	hartrees
Energy at 0K	-1197.486195
Energy at 298.15K	-1197.489388
HF Energy	-1197.486195
Nuclear repulsion energy	370.691751

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3063	3058	7.04
2	A'	3052	3046	5.53
3	A'	1327	1325	19.58
4	A'	1185	1183	0.65
5	A'	1051	1049	91.19
6	A'	1000	998	53.04
7	A'	735	733	33.89
8	A'	527	526	5.62
9	A'	373	372	15.95
10	A'	324	324	7.29
11	A'	234	233	0.17
12	A"	1278	1276	1.57
13	A"	1165	1163	14.83
14	A"	990	988	168.24
15	A"	718	717	148.20
16	A"	362	362	3.25
17	A"	170	169	0.74
18	A"	66	66	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.412	-0.223	0.000
C2	-0.368	1.109	0.000
H3	1.503	-0.070	0.000
H4	-1.459	0.956	0.000
Cl5	-0.006	-1.162	1.500
Cl6	-0.006	-1.162	-1.500
F7	-0.006	1.851	1.116
F8	-0.006	1.851	-1.116

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5439	1.1018	2.2116	1.8189	1.8189	2.3925	2.3925
C2	1.5439		2.2116	1.1018	2.7462	2.7462	1.3882	1.3882
H3	1.1018	2.2116		3.1348	2.3923	2.3923	2.6860	2.6860
H4	2.2116	1.1018	3.1348		2.9746	2.9746	2.0392	2.0392
Cl5	1.8189	2.7462	2.3923	2.9746		3.0009	3.0382	3.9909
Cl6	1.8189	2.7462	2.3923	2.9746	3.0009		3.9909	3.0382
F7	2.3925	1.3882	2.6860	2.0392	3.0382	3.9909		2.2316
F8	2.3925	1.3882	2.6860	2.0392	3.9909	3.0382	2.2316

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.354	C1	C2	F7	109.254
C1	C2	F8	109.254	C2	C1	H3	112.354
C2	C1	Cl5	109.228	C2	C1	Cl6	109.228
H3	C1	Cl5	107.434	H3	C1	Cl6	107.434
H4	C2	F7	109.423	H4	C2	F8	109.423
Cl5	C1	Cl6	111.164	F7	C2	F8	106.987

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

using model chemistry: BLYP/aug-cc-pVDZ

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	-0.149
2	C	1.501
3	H	-0.206
4	H	-0.413
5	Cl	0.004
6	Cl	0.004
7	F	-0.370
8	F	-0.370

	x	y	z	Total
	-0.086	-0.380	0.000	0.390
CHELPG
AIM
ESP

	x	y	z
x	7.111	0.067	0.000
y	0.067	8.929	0.000
z	0.000	0.000	10.580

<r²>	252.063
(<r²>)^1/2	15.876

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

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

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