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	hartrees
Energy at 0K	-599.051875
Energy at 298.15K	-599.054486
Nuclear repulsion energy	100.159352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3012	2980	32.35
2	A'	1463	1448	0.36
3	A'	1349	1335	45.01
4	A'	1061	1050	175.26
5	A'	706	699	111.93
6	A'	370	366	1.16
7	A"	3089	3057	19.68
8	A"	1228	1216	3.33
9	A"	989	978	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.815	0.000
F2	1.366	0.778	0.000
Cl3	-0.682	-0.854	0.000
H4	-0.352	1.311	0.914
H5	-0.352	1.311	-0.914

	C1	F2	Cl3	H4	H5
C1		1.3665	1.8027	1.0976	1.0976
F2	1.3665		2.6180	2.0177	2.0177
Cl3	1.8027	2.6180		2.3725	2.3725
H4	1.0976	2.0177	2.3725		1.8276
H5	1.0976	2.0177	2.3725	1.8276

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	110.645	F2	C1	H4	109.461
F2	C1	H5	109.461	Cl3	C1	H4	107.261
Cl3	C1	H5	107.261	H4	C1	H5	112.720

All results from a given calculation for CH₂FCl (fluorochloromethane)

using model chemistry: PBEPBE/6-311G*

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	-0.227
2	F	-0.186
3	Cl	-0.086
4	H	0.249
5	H	0.249

	x	y	z	Total
	-0.853	1.747	0.000	1.944
CHELPG
AIM
ESP

	x	y	z
x	3.012	0.887	0.000
y	0.887	4.341	0.000
z	0.000	0.000	2.435

<r²>	67.024
(<r²>)^1/2	8.187

All results from a given calculation for CH2FCl (fluorochloromethane)

using model chemistry: PBEPBE/6-311G*

States and conformations

All results from a given calculation for CH₂FCl (fluorochloromethane)