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	hartrees
Energy at 0K	-698.559630
Energy at 298.15K	-698.561657
Nuclear repulsion energy	161.301560

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3217	3092	17.23
2	A'	1284	1235	58.74
3	A'	1017	977	208.36
4	A'	733	704	143.77
5	A'	529	508	11.03
6	A'	366	352	0.35
7	A"	1325	1274	11.40
8	A"	1044	1004	238.26
9	A"	327	315	1.97

Atom	x (Å)	y (Å)	z (Å)
C1	-0.592	-0.086	0.000
H2	-1.479	0.548	0.000
Cl3	0.923	0.962	0.000
F4	-0.592	-0.910	1.129
F5	-0.592	-0.910	-1.129

	C1	H2	Cl3	F4	F5
C1		1.0897	1.8424	1.3979	1.3979
H2	1.0897		2.4375	2.0462	2.0462
Cl3	1.8424	2.4375		2.6601	2.6601
F4	1.3979	2.0462	2.6601		2.2575
F5	1.3979	2.0462	2.6601	2.2575

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.790	H2	C1	F4	110.067
H2	C1	Cl5	110.067	F3	C1	F4	109.594
F3	C1	Cl5	109.594	F4	C1	Cl5	107.699

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: B3LYP/SDD

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	0.086
2	H	0.261
3	Cl	0.021
4	F	-0.184
5	F	-0.184

	x	y	z	Total
	-1.391	1.494	0.000	2.041
CHELPG
AIM
ESP

	x	y	z
x	3.374	1.242	0.000
y	1.242	2.980	0.000
z	0.000	0.000	2.296

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: B3LYP/SDD

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)