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	hartrees
Energy at 0K	-698.715736
Energy at 298.15K	-698.717946
HF Energy	-698.715736
Nuclear repulsion energy	167.031378

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3129	3025	16.01
2	A'	1320	1276	61.83
3	A'	1110	1073	225.91
4	A'	779	753	165.32
5	A'	595	575	7.13
6	A'	401	388	0.37
7	A"	1374	1328	14.20
8	A"	1129	1091	232.33
9	A"	359	347	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	-0.572	-0.094	0.000
H2	-1.448	0.547	0.000
Cl3	0.892	0.932	0.000
F4	-0.572	-0.879	1.087
F5	-0.572	-0.879	-1.087

	C1	H2	Cl3	F4	F5
C1		1.0865	1.7874	1.3409	1.3409
H2	1.0865		2.3716	1.9964	1.9964
Cl3	1.7874	2.3716		2.5695	2.5695
F4	1.3409	1.9964	2.5695		2.1750
F5	1.3409	1.9964	2.5695	2.1750

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	108.765	H2	C1	F4	110.217
H2	C1	Cl5	110.217	F3	C1	F4	109.623
F3	C1	Cl5	109.623	F4	C1	Cl5	108.386

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: B3LYPultrafine/cc-pVTZ

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	0.370
2	H	0.068
3	Cl	-0.123
4	F	-0.158
5	F	-0.158

	x	y	z	Total
	-1.166	0.838	0.000	1.436
CHELPG
AIM
ESP

	x	y	z
x	4.224	0.906	-0.003
y	0.906	3.873	-0.002
z	-0.003	-0.002	3.297

<r²>	91.546
(<r²>)^1/2	9.568

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)