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	hartrees
Energy at 0K	-1197.408949
Energy at 298.15K	-1197.412185
HF Energy	-1197.408949
Nuclear repulsion energy	373.252010

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3036	3019	9.46
2	A'	3021	3005	14.89
3	A'	1351	1343	25.13
4	A'	1207	1200	1.40
5	A'	1073	1067	119.52
6	A'	1020	1014	11.11
7	A'	747	743	30.63
8	A'	548	545	7.04
9	A'	376	374	12.30
10	A'	324	323	7.62
11	A'	234	233	0.31
12	A"	1334	1327	6.36
13	A"	1186	1179	19.60
14	A"	1070	1064	135.24
15	A"	734	730	145.91
16	A"	369	367	4.14
17	A"	170	170	0.84
18	A"	64	64	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.402	-0.224	0.000
C2	-0.368	1.118	0.000
H3	1.489	-0.060	0.000
H4	-1.455	0.955	0.000
Cl5	-0.005	-1.154	1.496
Cl6	-0.005	-1.154	-1.496
F7	-0.005	1.832	1.105
F8	-0.005	1.832	-1.105

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5481	1.0990	2.2000	1.8079	1.8079	2.3694	2.3694
C2	1.5481		2.2000	1.0990	2.7450	2.7450	1.3650	1.3650
H3	1.0990	2.2000		3.1143	2.3801	2.3801	2.6520	2.6520
H4	2.2000	1.0990	3.1143		2.9648	2.9648	2.0237	2.0237
Cl5	1.8079	2.7450	2.3801	2.9648		2.9924	3.0113	3.9602
Cl6	1.8079	2.7450	2.3801	2.9648	2.9924		3.9602	3.0113
F7	2.3694	1.3650	2.6520	2.0237	3.0113	3.9602		2.2107
F8	2.3694	1.3650	2.6520	2.0237	3.9602	3.0113	2.2107

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.293	C1	C2	F7	108.694
C1	C2	F8	108.694	C2	C1	H3	111.293
C2	C1	Cl5	109.513	C2	C1	Cl6	109.513
H3	C1	Cl5	107.403	H3	C1	Cl6	107.403
H4	C2	F7	109.968	H4	C2	F8	109.968
Cl5	C1	Cl6	111.698	F7	C2	F8	108.152

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	-0.034
2	C	0.113
3	H	0.173
4	H	0.104
5	Cl	-0.116
6	Cl	-0.116
7	F	-0.062
8	F	-0.062

	x	y	z	Total
	0.038	0.168	0.000	0.172
CHELPG
AIM
ESP

	x	y	z
x	5.598	0.074	0.000
y	0.074	7.244	0.000
z	0.000	0.000	8.893

<r²>	248.214
(<r²>)^1/2	15.755

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

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

States and conformations

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