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	hartrees
Energy at 0K	-698.523028
Energy at 298.15K	-698.525118
Nuclear repulsion energy	164.366328

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3050	3027	29.85
2	A'	1277	1268	77.31
3	A'	1079	1071	206.64
4	A'	730	725	167.55
5	A'	562	558	10.24
6	A'	371	368	2.39
7	A"	1348	1337	31.99
8	A"	1111	1103	206.81
9	A"	338	335	1.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.588	-0.100	0.000
H2	-1.460	0.570	0.000
Cl3	0.917	0.941	0.000
F4	-0.588	-0.887	1.104
F5	-0.588	-0.887	-1.104

	C1	H2	Cl3	F4	F5
C1		1.0988	1.8300	1.3559	1.3559
H2	1.0988		2.4050	2.0248	2.0248
Cl3	1.8300	2.4050		2.6128	2.6128
F4	1.3559	2.0248	2.6128		2.2081
F5	1.3559	2.0248	2.6128	2.2081

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	107.772	H2	C1	F4	110.718
H2	C1	Cl5	110.718	F3	C1	F4	109.288
F3	C1	Cl5	109.288	F4	C1	Cl5	109.029

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: BLYP/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	0.341
2	H	0.131
3	Cl	-0.059
4	F	-0.207
5	F	-0.207

	x	y	z	Total
	-1.395	0.466	0.000	1.471
CHELPG
AIM
ESP

	x	y	z
x	3.947	1.028	0.000
y	1.028	3.465	0.000
z	0.000	0.000	2.795

<r²>	93.792
(<r²>)^1/2	9.685

All results from a given calculation for CHF2Cl (difluorochloromethane)

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

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)