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	hartrees
Energy at 0K	-599.228910
Energy at 298.15K	-599.231571
Nuclear repulsion energy	100.960739

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3109	2974	29.59
2	A'	1533	1467	0.57
3	A'	1405	1344	54.06
4	A'	1137	1088	163.26
5	A'	750	718	101.76
6	A'	383	366	1.44
7	A"	3185	3047	18.23
8	A"	1270	1215	2.30
9	A"	1029	985	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.809	0.000
F2	1.355	0.769	0.000
Cl3	-0.675	-0.847	0.000
H4	-0.355	1.307	0.905
H5	-0.355	1.307	-0.905

	C1	F2	Cl3	H4	H5
C1		1.3551	1.7883	1.0919	1.0919
F2	1.3551		2.5944	2.0074	2.0074
Cl3	1.7883	2.5944		2.3579	2.3579
H4	1.0919	2.0074	2.3579		1.8095
H5	1.0919	2.0074	2.3579	1.8095

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	110.490	F2	C1	H4	109.771
F2	C1	H5	109.771	Cl3	C1	H4	107.426
Cl3	C1	H5	107.426	H4	C1	H5	111.910

All results from a given calculation for CH₂FCl (fluorochloromethane)

using model chemistry: B3PW91/6-31G*

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	-0.100
2	F	-0.258
3	Cl	-0.060
4	H	0.209
5	H	0.209

	x	y	z	Total
	-0.816	1.745	0.000	1.926
CHELPG
AIM
ESP

	x	y	z
x	2.884	0.705	0.000
y	0.705	3.994	0.000
z	0.000	0.000	2.489

<r²>	65.786
(<r²>)^1/2	8.111

All results from a given calculation for CH2FCl (fluorochloromethane)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for CH₂FCl (fluorochloromethane)