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	hartrees
Energy at 0K	-599.331943
Energy at 298.15K	-599.334585
Nuclear repulsion energy	100.472818

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3104	2973	28.99
2	A'	1536	1472	0.89
3	A'	1402	1343	58.13
4	A'	1121	1074	162.08
5	A'	729	699	103.38
6	A'	377	361	1.44
7	A"	3178	3044	18.99
8	A"	1266	1213	2.60
9	A"	1024	981	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.817	0.000
F2	1.359	0.776	0.000
Cl3	-0.677	-0.853	0.000
H4	-0.356	1.311	0.905
H5	-0.356	1.311	-0.905

	C1	F2	Cl3	H4	H5
C1		1.3592	1.8020	1.0913	1.0913
F2	1.3592		2.6074	2.0116	2.0116
Cl3	1.8020	2.6074		2.3680	2.3680
H4	1.0913	2.0116	2.3680		1.8107
H5	1.0913	2.0116	2.3680	1.8107

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	110.351	F2	C1	H4	109.868
F2	C1	H5	109.868	Cl3	C1	H4	107.292
Cl3	C1	H5	107.292	H4	C1	H5	112.108

All results from a given calculation for CH₂FCl (fluorochloromethane)

using model chemistry: B3LYPultrafine/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	-0.049
2	F	-0.259
3	Cl	-0.072
4	H	0.190
5	H	0.190

	x	y	z	Total
	-0.804	1.758	0.000	1.933
CHELPG
AIM
ESP

	x	y	z
x	2.897	0.723	0.000
y	0.723	4.032	0.000
z	0.000	0.000	2.486

<r²>	66.361
(<r²>)^1/2	8.146

All results from a given calculation for CH2FCl (fluorochloromethane)

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

All results from a given calculation for CH₂FCl (fluorochloromethane)