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	hartrees
Energy at 0K	-698.533996
Energy at 298.15K	-698.536231
Nuclear repulsion energy	167.533847

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3149	3032	23.95
2	A'	1330	1281	82.35
3	A'	1126	1085	253.81
4	A'	795	765	179.04
5	A'	599	577	8.59
6	A'	408	393	0.34
7	A"	1385	1334	27.07
8	A"	1155	1112	251.67
9	A"	366	353	0.92

Atom	x (Å)	y (Å)	z (Å)
C1	-0.569	-0.094	0.000
H2	-1.448	0.550	0.000
Cl3	0.889	0.927	0.000
F4	-0.569	-0.875	1.086
F5	-0.569	-0.875	-1.086

	C1	H2	Cl3	F4	F5
C1		1.0892	1.7804	1.3373	1.3373
H2	1.0892		2.3669	1.9951	1.9951
Cl3	1.7804	2.3669		2.5601	2.5601
F4	1.3373	1.9951	2.5601		2.1714
F5	1.3373	1.9951	2.5601	2.1714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	108.737	H2	C1	F4	110.194
H2	C1	Cl5	110.194	F3	C1	F4	109.577
F3	C1	Cl5	109.577	F4	C1	Cl5	108.551

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: B3PW91/6-311G**

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	0.292
2	H	0.159
3	Cl	-0.085
4	F	-0.183
5	F	-0.183

	x	y	z	Total
	-1.319	0.826	0.000	1.556
CHELPG
AIM
ESP

	x	y	z
x	3.745	1.055	0.000
y	1.055	3.261	0.000
z	0.000	0.000	2.565

<r²>	91.115
(<r²>)^1/2	9.545

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: B3PW91/6-311G**

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)