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	hartrees
Energy at 0K	-689.770388
Energy at 298.15K	-689.772245
Nuclear repulsion energy	158.224213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3105	2837	14.97
2	A'	1245	1137	77.57
3	A'	1155	1055	77.67
4	A'	712	650	95.03
5	A'	545	498	11.49
6	A'	362	331	1.78
7	A"	1412	1290	67.13
8	A"	1211	1106	51.07
9	A"	307	281	3.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.626	-0.129	0.000
H2	-1.480	0.623	0.000
Cl3	0.970	0.981	0.000
F4	-0.626	-0.918	1.137
F5	-0.626	-0.918	-1.137

	C1	H2	Cl3	F4	F5
C1		1.1384	1.9437	1.3840	1.3840
H2	1.1384		2.4762	2.0973	2.0973
Cl3	1.9437	2.4762		2.7285	2.7285
F4	1.3840	2.0973	2.7285		2.2739
F5	1.3840	2.0973	2.7285	2.2739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	103.828	H2	C1	F4	112.135
H2	C1	Cl5	112.135	F3	C1	F4	108.997
F3	C1	Cl5	108.997	F4	C1	Cl5	110.472

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: PBEPBE/STO-3G

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	0.150
2	H	0.109
3	Cl	-0.222
4	F	-0.019
5	F	-0.019

	x	y	z	Total
	-2.324	-1.075	0.000	2.561
CHELPG
AIM
ESP

	x	y	z
x	2.215	1.058	0.000
y	1.058	1.953	0.000
z	0.000	0.000	1.391

<r²>	98.884
(<r²>)^1/2	9.944

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: PBEPBE/STO-3G

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)