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	hartrees
Energy at 0K	-698.661256
Energy at 298.15K	-698.663499
Nuclear repulsion energy	168.049695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3160	3034	23.85
2	A'	1332	1279	84.41
3	A'	1136	1091	255.23
4	A'	800	768	177.87
5	A'	601	577	8.88
6	A'	411	394	0.20
7	A"	1387	1331	30.14
8	A"	1168	1122	249.29
9	A"	366	352	0.99

Atom	x (Å)	y (Å)	z (Å)
C1	-0.568	-0.092	0.000
H2	-1.445	0.551	0.000
Cl3	0.887	0.923	0.000
F4	-0.568	-0.871	1.083
F5	-0.568	-0.871	-1.083

	C1	H2	Cl3	F4	F5
C1		1.0871	1.7735	1.3344	1.3344
H2	1.0871		2.3614	1.9909	1.9909
Cl3	1.7735	2.3614		2.5509	2.5509
F4	1.3344	1.9909	2.5509		2.1657
F5	1.3344	1.9909	2.5509	2.1657

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	108.908	H2	C1	F4	110.195
H2	C1	Cl5	110.195	F3	C1	F4	109.522
F3	C1	Cl5	109.522	F4	C1	Cl5	108.485

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: B1B95/6-311G**

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	0.279
2	H	0.161
3	Cl	-0.079
4	F	-0.180
5	F	-0.180

	x	y	z	Total
	-1.304	0.847	0.000	1.555
CHELPG
AIM
ESP

	x	y	z
x	3.739	1.037	0.000
y	1.037	3.243	0.000
z	0.000	0.000	2.556

<r²>	90.601
(<r²>)^1/2	9.518

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: B1B95/6-311G**

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)