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	hartrees
Energy at 0K	-698.623215
Energy at 298.15K	-698.625469
Nuclear repulsion energy	168.077748

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3038	27.99
2	A'	1360	1298	90.89
3	A'	1144	1092	256.71
4	A'	809	772	177.07
5	A'	607	579	8.71
6	A'	415	396	0.20
7	A"	1410	1346	30.41
8	A"	1175	1122	253.19
9	A"	371	354	0.97

Atom	x (Å)	y (Å)	z (Å)
C1	-0.567	-0.094	0.000
H2	-1.447	0.543	0.000
Cl3	0.885	0.925	0.000
F4	-0.567	-0.872	1.083
F5	-0.567	-0.872	-1.083

	C1	H2	Cl3	F4	F5
C1		1.0871	1.7740	1.3331	1.3331
H2	1.0871		2.3638	1.9877	1.9877
Cl3	1.7740	2.3638		2.5514	2.5514
F4	1.3331	1.9877	2.5514		2.1652
F5	1.3331	1.9877	2.5514	2.1652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.039	H2	C1	F4	110.013
H2	C1	Cl5	110.013	F3	C1	F4	109.580
F3	C1	Cl5	109.580	F4	C1	Cl5	108.603

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: mPW1PW91/6-311G*

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	0.204
2	H	0.243
3	Cl	-0.077
4	F	-0.185
5	F	-0.185

	x	y	z	Total
	-1.309	0.829	0.000	1.550
CHELPG
AIM
ESP

	x	y	z
x	3.687	1.024	0.000
y	1.024	3.208	0.000
z	0.000	0.000	2.516

<r²>	90.626
(<r²>)^1/2	9.520

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: mPW1PW91/6-311G*

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)