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	hartrees
Energy at 0K	-698.541116
Energy at 298.15K	-698.543225
Nuclear repulsion energy	165.174379

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3026	3009	24.03
2	A'	1263	1256	66.24
3	A'	1084	1078	194.03
4	A'	725	721	157.78
5	A'	575	572	9.29
6	A'	375	373	2.53
7	A"	1344	1337	20.81
8	A"	1114	1108	191.72
9	A"	340	338	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	-0.589	-0.101	0.000
H2	-1.455	0.575	0.000
Cl3	0.917	0.935	0.000
F4	-0.589	-0.881	1.096
F5	-0.589	-0.881	-1.096

	C1	H2	Cl3	F4	F5
C1		1.0993	1.8284	1.3449	1.3449
H2	1.0993		2.3999	2.0179	2.0179
Cl3	1.8284	2.3999		2.6012	2.6012
F4	1.3449	2.0179	2.6012		2.1924
F5	1.3449	2.0179	2.6012	2.1924

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	107.494	H2	C1	F4	110.894
H2	C1	Cl5	110.894	F3	C1	F4	109.166
F3	C1	Cl5	109.166	F4	C1	Cl5	109.183

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: BLYP/6-31G(2df,p)

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	0.092
2	H	0.127
3	Cl	-0.165
4	F	-0.027
5	F	-0.027

	x	y	z	Total
	-1.353	0.398	0.000	1.411
CHELPG
AIM
ESP

	x	y	z
x	4.392	0.921	0.000
y	0.921	3.977	0.000
z	0.000	0.000	3.389

<r²>	93.083
(<r²>)^1/2	9.648

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)