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	hartrees
Energy at 0K	-698.526777
Energy at 298.15K	-698.529019
Nuclear repulsion energy	167.847306

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	3016	27.11
2	A'	1350	1285	87.56
3	A'	1164	1108	225.06
4	A'	812	773	165.24
5	A'	600	571	9.21
6	A'	410	390	0.20
7	A"	1410	1342	42.33
8	A"	1207	1149	206.68
9	A"	365	348	1.29

Atom	x (Å)	y (Å)	z (Å)
C1	-0.570	-0.092	0.000
H2	-1.444	0.560	0.000
Cl3	0.890	0.921	0.000
F4	-0.570	-0.870	1.085
F5	-0.570	-0.870	-1.085

	C1	H2	Cl3	F4	F5
C1		1.0901	1.7777	1.3349	1.3349
H2	1.0901		2.3622	1.9961	1.9961
Cl3	1.7777	2.3622		2.5532	2.5532
F4	1.3349	1.9961	2.5532		2.1695
F5	1.3349	1.9961	2.5532	2.1695

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	108.524	H2	C1	F4	110.395
H2	C1	Cl5	110.395	F3	C1	F4	109.402
F3	C1	Cl5	109.402	F4	C1	Cl5	108.706

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: mPW1PW91/6-31G**

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	0.351
2	H	0.165
3	Cl	-0.034
4	F	-0.241
5	F	-0.241

	x	y	z	Total
	-1.323	0.667	0.000	1.482
CHELPG
AIM
ESP

	x	y	z
x	3.711	0.891	0.000
y	0.891	3.246	0.000
z	0.000	0.000	2.648

<r²>	90.428
(<r²>)^1/2	9.509

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)