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	hartrees
Energy at 0K	-1197.447039
Energy at 298.15K	-1197.450252
HF Energy	-1197.447039
Nuclear repulsion energy	371.238448

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3035	3040	11.02
2	A'	3023	3028	14.64
3	A'	1334	1336	28.31
4	A'	1190	1192	1.36
5	A'	1061	1063	120.61
6	A'	1017	1018	25.97
7	A'	737	738	35.28
8	A'	539	540	6.78
9	A'	373	374	14.03
10	A'	324	324	8.26
11	A'	234	235	0.36
12	A"	1299	1301	9.69
13	A"	1163	1165	16.62
14	A"	1048	1050	150.75
15	A"	724	725	153.16
16	A"	365	365	4.41
17	A"	169	169	1.07
18	A"	66	66	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.404	-0.221	0.000
C2	-0.369	1.117	0.000
H3	1.499	-0.059	0.000
H4	-1.463	0.954	0.000
Cl5	-0.005	-1.160	1.503
Cl6	-0.005	-1.160	-1.503
F7	-0.005	1.844	1.112
F8	-0.005	1.844	-1.112

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5456	1.1067	2.2070	1.8187	1.8187	2.3809	2.3809
C2	1.5456		2.2070	1.1067	2.7527	2.7527	1.3776	1.3776
H3	1.1067	2.2070		3.1309	2.3945	2.3945	2.6679	2.6679
H4	2.2070	1.1067	3.1309		2.9762	2.9762	2.0386	2.0386
Cl5	1.8187	2.7527	2.3945	2.9762		3.0055	3.0293	3.9828
Cl6	1.8187	2.7527	2.3945	2.9762	3.0055		3.9828	3.0293
F7	2.3809	1.3776	2.6679	2.0386	3.0293	3.9828		2.2246
F8	2.3809	1.3776	2.6679	2.0386	3.9828	3.0293	2.2246

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.566	C1	C2	F7	108.939
C1	C2	F8	108.939	C2	C1	H3	111.566
C2	C1	Cl5	109.546	C2	C1	Cl6	109.546
H3	C1	Cl5	107.362	H3	C1	Cl6	107.362
H4	C2	F7	109.809	H4	C2	F8	109.809
Cl5	C1	Cl6	111.441	F7	C2	F8	107.689

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

using model chemistry: BLYP/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	-0.140
2	C	0.422
3	H	0.101
4	H	0.018
5	Cl	-0.039
6	Cl	-0.039
7	F	-0.161
8	F	-0.161

	x	y	z	Total
	-0.018	-0.053	0.000	0.056
CHELPG
AIM
ESP

	x	y	z
x	4.748	0.118	0.000
y	0.118	6.280	0.000
z	0.000	0.000	8.229

<r²>	250.586
(<r²>)^1/2	15.830

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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