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	hartrees
Energy at 0K	-694.932161
Energy at 298.15K	-694.934212
Nuclear repulsion energy	161.663953

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3192	3068	22.16
2	A'	1306	1255	78.95
3	A'	1122	1079	203.97
4	A'	697	670	174.13
5	A'	556	535	19.74
6	A'	347	333	4.36
7	A"	1413	1359	43.43
8	A"	1216	1169	151.94
9	A"	316	304	3.66

Atom	x (Å)	y (Å)	z (Å)
C1	-0.625	-0.109	0.000
H2	-1.434	0.614	0.000
Cl3	0.966	0.940	0.000
F4	-0.625	-0.885	1.115
F5	-0.625	-0.885	-1.115

	C1	H2	Cl3	F4	F5
C1		1.0854	1.9058	1.3587	1.3587
H2	1.0854		2.4226	2.0363	2.0363
Cl3	1.9058	2.4226		2.6656	2.6656
F4	1.3587	2.0363	2.6656		2.2307
F5	1.3587	2.0363	2.6656	2.2307

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	104.833	H2	C1	F4	112.362
H2	C1	Cl5	112.362	F3	C1	F4	108.317
F3	C1	Cl5	108.317	F4	C1	Cl5	110.351

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: B3PW91/3-21G

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	0.248
2	H	0.279
3	Cl	-0.031
4	F	-0.248
5	F	-0.248

	x	y	z	Total
	-2.053	0.424	0.000	2.097
CHELPG
AIM
ESP

	x	y	z
x	3.541	1.279	0.000
y	1.279	2.824	0.000
z	0.000	0.000	2.074

<r²>	97.196
(<r²>)^1/2	9.859

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: B3PW91/3-21G

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)