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	hartrees
Energy at 0K	-1197.535990
Energy at 298.15K	-1197.539212
HF Energy	-1197.535990
Nuclear repulsion energy	371.562214

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3062	3055	19.56
2	A'	3050	3042	5.16
3	A'	1366	1363	25.47
4	A'	1224	1221	1.61
5	A'	1054	1052	140.20
6	A'	1017	1015	25.16
7	A'	739	737	36.55
8	A'	539	538	7.44
9	A'	377	376	16.32
10	A'	327	326	7.78
11	A'	239	238	0.31
12	A"	1333	1330	6.67
13	A"	1222	1219	19.59
14	A"	1029	1026	156.25
15	A"	714	713	174.36
16	A"	364	363	5.72
17	A"	173	172	1.23
18	A"	66	65	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.402	-0.221	0.000
C2	-0.367	1.117	0.000
H3	1.487	-0.066	0.000
H4	-1.452	0.963	0.000
Cl5	-0.005	-1.161	1.500
Cl6	-0.005	-1.161	-1.500
F7	-0.005	1.845	1.112
F8	-0.005	1.845	-1.112

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5439	1.0955	2.2001	1.8166	1.8166	2.3808	2.3808
C2	1.5439		2.2001	1.0955	2.7520	2.7520	1.3772	1.3772
H3	1.0955	2.2001		3.1141	2.3819	2.3819	2.6672	2.6672
H4	2.2001	1.0955	3.1141		2.9761	2.9761	2.0268	2.0268
Cl5	1.8166	2.7520	2.3819	2.9761		2.9999	3.0307	3.9821
Cl6	1.8166	2.7520	2.3819	2.9761	2.9999		3.9821	3.0307
F7	2.3808	1.3772	2.6672	2.0268	3.0307	3.9821		2.2240
F8	2.3808	1.3772	2.6672	2.0268	3.9821	3.0307	2.2240

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.811	C1	C2	F7	109.047
C1	C2	F8	109.047	C2	C1	H3	111.811
C2	C1	Cl5	109.692	C2	C1	Cl6	109.692
H3	C1	Cl5	107.146	H3	C1	Cl6	107.146
H4	C2	F7	109.577	H4	C2	F8	109.577
Cl5	C1	Cl6	111.321	F7	C2	F8	107.688

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

using model chemistry: BLYP/6-311G*

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	-0.462
2	C	0.331
3	H	0.306
4	H	0.209
5	Cl	0.004
6	Cl	0.004
7	F	-0.196
8	F	-0.196

	x	y	z	Total
	-0.062	0.014	0.000	0.064
CHELPG
AIM
ESP

	x	y	z
x	4.767	0.120	0.000
y	0.120	6.544	0.000
z	0.000	0.000	8.809

<r²>	251.270
(<r²>)^1/2	15.851

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

using model chemistry: BLYP/6-311G*

States and conformations

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