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	hartrees
Energy at 0K	-698.706973
Energy at 298.15K	-698.709180
HF Energy	-698.706973
Nuclear repulsion energy	166.520072

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3137	3029	16.42
2	A'	1327	1281	74.85
3	A'	1102	1064	246.64
4	A'	780	753	172.81
5	A'	595	574	7.90
6	A'	402	388	0.34
7	A"	1380	1333	18.65
8	A"	1115	1076	263.43
9	A"	361	348	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	-0.573	-0.097	0.000
H2	-1.454	0.541	0.000
Cl3	0.894	0.937	0.000
F4	-0.573	-0.883	1.090
F5	-0.573	-0.883	-1.090

	C1	H2	Cl3	F4	F5
C1		1.0878	1.7944	1.3439	1.3439
H2	1.0878		2.3810	1.9982	1.9982
Cl3	1.7944	2.3810		2.5793	2.5793
F4	1.3439	1.9982	2.5793		2.1793
F5	1.3439	1.9982	2.5793	2.1793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	108.925	H2	C1	F4	110.069
H2	C1	Cl5	110.069	F3	C1	F4	109.712
F3	C1	Cl5	109.712	F4	C1	Cl5	108.345

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: B3LYP/TZVP

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	0.251
2	H	0.136
3	Cl	-0.067
4	F	-0.160
5	F	-0.160

	x	y	z	Total
	-1.193	1.012	0.000	1.564
CHELPG
AIM
ESP

	x	y	z
x	4.034	0.940	0.000
y	0.940	3.668	0.000
z	0.000	0.000	3.060

<r²>	92.272
(<r²>)^1/2	9.606

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: B3LYP/TZVP

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)