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	hartrees
Energy at 0K	-1197.475675
Energy at 298.15K	-1197.479096
HF Energy	-1197.475675
Nuclear repulsion energy	376.057800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3155	3029	10.98
2	A'	3142	3017	14.78
3	A'	1429	1372	35.41
4	A'	1269	1219	1.45
5	A'	1137	1091	128.67
6	A'	1078	1035	17.39
7	A'	787	756	35.56
8	A'	564	542	8.25
9	A'	394	379	16.12
10	A'	344	330	9.18
11	A'	249	239	0.43
12	A"	1406	1350	15.34
13	A"	1269	1219	23.07
14	A"	1149	1103	141.27
15	A"	791	760	150.38
16	A"	390	374	3.18
17	A"	180	173	1.23
18	A"	75	72	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.399	-0.223	0.000
C2	-0.364	1.109	0.000
H3	1.478	-0.057	0.000
H4	-1.443	0.943	0.000
Cl5	-0.005	-1.146	1.483
Cl6	-0.005	-1.146	-1.483
F7	-0.005	1.820	1.099
F8	-0.005	1.820	-1.099

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5344	1.0915	2.1798	1.7926	1.7926	2.3543	2.3543
C2	1.5344		2.1798	1.0915	2.7220	2.7220	1.3578	1.3578
H3	1.0915	2.1798		3.0872	2.3625	2.3625	2.6322	2.6322
H4	2.1798	1.0915	3.0872		2.9376	2.9376	2.0115	2.0115
Cl5	1.7926	2.7220	2.3625	2.9376		2.9656	2.9900	3.9321
Cl6	1.7926	2.7220	2.3625	2.9376	2.9656		3.9321	2.9900
F7	2.3543	1.3578	2.6322	2.0115	2.9900	3.9321		2.1989
F8	2.3543	1.3578	2.6322	2.0115	3.9321	2.9900	2.1989

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.093	C1	C2	F7	108.827
C1	C2	F8	108.827	C2	C1	H3	111.093
C2	C1	Cl5	109.556	C2	C1	Cl6	109.556
H3	C1	Cl5	107.498	H3	C1	Cl6	107.498
H4	C2	F7	109.945	H4	C2	F8	109.945
Cl5	C1	Cl6	111.618	F7	C2	F8	108.138

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

using model chemistry: B3LYP/6-31G*

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	-0.386
2	C	0.492
3	H	0.254
4	H	0.158
5	Cl	0.008
6	Cl	0.008
7	F	-0.267
8	F	-0.267

	x	y	z	Total
	0.033	0.123	0.000	0.128
CHELPG
AIM
ESP

	x	y	z
x	4.603	0.150	0.000
y	0.150	6.024	0.000
z	0.000	0.000	7.812

<r²>	245.058
(<r²>)^1/2	15.654

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

using model chemistry: B3LYP/6-31G*

States and conformations

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