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	hartrees
Energy at 0K	-698.472885
Energy at 298.15K	-698.475110
Nuclear repulsion energy	167.212508

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3139	3029	23.70
2	A'	1300	1255	76.82
3	A'	1134	1094	243.42
4	A'	792	764	163.20
5	A'	597	576	7.85
6	A'	406	392	0.32
7	A"	1368	1320	37.86
8	A"	1171	1130	231.99
9	A"	362	350	0.95

Atom	x (Å)	y (Å)	z (Å)
C1	-0.571	-0.095	0.000
H2	-1.453	0.560	0.000
Cl3	0.891	0.928	0.000
F4	-0.571	-0.876	1.087
F5	-0.571	-0.876	-1.087

	C1	H2	Cl3	F4	F5
C1		1.0987	1.7844	1.3391	1.3391
H2	1.0987		2.3736	2.0058	2.0058
Cl3	1.7844	2.3736		2.5645	2.5645
F4	1.3391	2.0058	2.5645		2.1742
F5	1.3391	2.0058	2.5645	2.1742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	108.475	H2	C1	F4	110.346
H2	C1	Cl5	110.346	F3	C1	F4	109.556
F3	C1	Cl5	109.556	F4	C1	Cl5	108.550

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: B3PW91/cc-pVDZ

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	0.336
2	H	0.085
3	Cl	-0.107
4	F	-0.157
5	F	-0.157

	x	y	z	Total
	-1.257	0.729	0.000	1.453
CHELPG
AIM
ESP

	x	y	z
x	3.613	0.938	0.000
y	0.938	3.174	0.000
z	0.000	0.000	2.550

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)