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	hartrees
Energy at 0K	-599.041974
Energy at 298.15K	-599.044642
HF Energy	-598.901151
Nuclear repulsion energy	100.846123

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3145	2985	28.32
2	A'	1556	1477	0.90
3	A'	1426	1354	59.76
4	A'	1125	1068	157.25
5	A'	759	720	98.93
6	A'	383	364	1.51
7	A"	3223	3060	17.05
8	A"	1281	1216	2.54
9	A"	1043	990	0.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.808	0.000
F2	1.359	0.768	0.000
Cl3	-0.678	-0.846	0.000
H4	-0.355	1.308	0.901
H5	-0.355	1.308	-0.901

	C1	F2	Cl3	H4	H5
C1		1.3599	1.7875	1.0900	1.0900
F2	1.3599		2.5988	2.0107	2.0107
Cl3	1.7875	2.5988		2.3571	2.3571
H4	1.0900	2.0107	2.3571		1.8024
H5	1.0900	2.0107	2.3571	1.8024

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	110.584	F2	C1	H4	109.821
F2	C1	H5	109.821	Cl3	C1	H4	107.516
Cl3	C1	H5	107.516	H4	C1	H5	111.538

All results from a given calculation for CH₂FCl (fluorochloromethane)

using model chemistry: B2PLYP/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	-0.040
2	F	-0.279
3	Cl	-0.068
4	H	0.194
5	H	0.194

	x	y	z	Total
	-0.886	1.728	0.000	1.942
CHELPG
AIM
ESP

	x	y	z
x	2.865	0.704	0.000
y	0.704	3.953	0.000
z	0.000	0.000	2.459

<r²>	65.973
(<r²>)^1/2	8.122

All results from a given calculation for CH2FCl (fluorochloromethane)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for CH₂FCl (fluorochloromethane)