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	hartrees
Energy at 0K	-698.435324
Energy at 298.15K	-698.437544
Nuclear repulsion energy	167.345831

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3147	3016	28.07
2	A'	1339	1283	84.85
3	A'	1150	1102	223.14
4	A'	799	766	166.61
5	A'	595	570	9.23
6	A'	404	387	0.34
7	A"	1399	1341	39.85
8	A"	1191	1142	208.13
9	A"	361	346	1.23

Atom	x (Å)	y (Å)	z (Å)
C1	-0.572	-0.094	0.000
H2	-1.447	0.560	0.000
Cl3	0.893	0.925	0.000
F4	-0.572	-0.873	1.088
F5	-0.572	-0.873	-1.088

	C1	H2	Cl3	F4	F5
C1		1.0919	1.7843	1.3381	1.3381
H2	1.0919		2.3677	2.0004	2.0004
Cl3	1.7843	2.3677		2.5617	2.5617
F4	1.3381	2.0004	2.5617		2.1754
F5	1.3381	2.0004	2.5617	2.1754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	108.404	H2	C1	F4	110.411
H2	C1	Cl5	110.411	F3	C1	F4	109.422
F3	C1	Cl5	109.422	F4	C1	Cl5	108.756

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: B3PW91/6-31G**

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	0.345
2	H	0.163
3	Cl	-0.036
4	F	-0.236
5	F	-0.236

	x	y	z	Total
	-1.332	0.642	0.000	1.478
CHELPG
AIM
ESP

	x	y	z
x	3.745	0.910	0.000
y	0.910	3.281	0.000
z	0.000	0.000	2.670

<r²>	90.891
(<r²>)^1/2	9.534

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: B3PW91/6-31G**

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)