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	hartrees
Energy at 0K	-598.983053
Energy at 298.15K	-598.985664
Nuclear repulsion energy	100.086052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3006	2965	29.02
2	A'	1470	1450	0.67
3	A'	1337	1319	45.08
4	A'	1096	1081	157.15
5	A'	711	701	101.85
6	A'	367	362	1.41
7	A"	3081	3038	19.25
8	A"	1215	1199	1.77
9	A"	986	972	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.817	0.000
F2	1.364	0.782	0.000
Cl3	-0.679	-0.857	0.000
H4	-0.366	1.311	0.913
H5	-0.366	1.311	-0.913

	C1	F2	Cl3	H4	H5
C1		1.3644	1.8058	1.1011	1.1011
F2	1.3644		2.6191	2.0268	2.0268
Cl3	1.8058	2.6191		2.3731	2.3731
H4	1.1011	2.0268	2.3731		1.8259
H5	1.1011	2.0268	2.3731	1.8259

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	110.641	F2	C1	H4	110.120
F2	C1	H5	110.120	Cl3	C1	H4	106.932
Cl3	C1	H5	106.932	H4	C1	H5	112.007

All results from a given calculation for CH₂FCl (fluorochloromethane)

using model chemistry: PBEPBE/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	-0.036
2	F	-0.229
3	Cl	-0.062
4	H	0.164
5	H	0.164

	x	y	z	Total
	-0.681	1.724	0.000	1.853
CHELPG
AIM
ESP

	x	y	z
x	3.035	0.754	0.000
y	0.754	4.153	0.000
z	0.000	0.000	2.571

<r²>	66.739
(<r²>)^1/2	8.169

All results from a given calculation for CH2FCl (fluorochloromethane)

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

States and conformations

All results from a given calculation for CH₂FCl (fluorochloromethane)