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	hartrees
Energy at 0K	-698.591648
Energy at 298.15K	-698.593908
HF Energy	-698.591648
Nuclear repulsion energy	167.812667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3159	3022	24.02
2	A'	1339	1281	88.48
3	A'	1137	1088	259.27
4	A'	811	776	175.51
5	A'	606	580	8.47
6	A'	415	397	0.16
7	A"	1407	1346	27.81
8	A"	1165	1114	256.49
9	A"	372	355	0.97

Atom	x (Å)	y (Å)	z (Å)
C1	-0.573	-0.081	0.000
H2	-1.445	0.560	0.000
Cl3	0.894	0.918	0.000
F4	-0.573	-0.871	1.082
F5	-0.573	-0.871	-1.082

	C1	H2	Cl3	F4	F5
C1		1.0820	1.7755	1.3396	1.3396
H2	1.0820		2.3664	1.9944	1.9944
Cl3	1.7755	2.3664		2.5544	2.5544
F4	1.3396	1.9944	2.5544		2.1645
F5	1.3396	1.9944	2.5544	2.1645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.407	H2	C1	F4	110.440
H2	C1	Cl5	110.440	F3	C1	F4	109.373
F3	C1	Cl5	109.373	F4	C1	Cl5	107.779

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: wB97X-D/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	0.296
2	H	0.157
3	Cl	-0.083
4	F	-0.185
5	F	-0.185

	x	y	z	Total
	-1.337	0.860	0.000	1.590
CHELPG
AIM
ESP

	x	y	z
x	3.711	1.028	0.000
y	1.028	3.213	0.000
z	0.000	0.000	2.532

<r²>	90.869
(<r²>)^1/2	9.533

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)