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	hartrees
Energy at 0K	-599.434572
Energy at 298.15K	-599.437219
Nuclear repulsion energy	100.848642

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3083	2976	22.91
2	A'	1504	1452	0.13
3	A'	1374	1326	32.73
4	A'	1081	1043	168.94
5	A'	728	703	99.95
6	A'	378	365	1.00
7	A"	3158	3048	9.56
8	A"	1256	1212	2.54
9	A"	1006	971	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.810	0.000
F2	1.361	0.766	0.000
Cl3	-0.680	-0.844	0.000
H4	-0.345	1.303	0.904
H5	-0.345	1.303	-0.904

	C1	F2	Cl3	H4	H5
C1		1.3617	1.7884	1.0861	1.0861
F2	1.3617		2.5995	2.0038	2.0038
Cl3	1.7884	2.5995		2.3544	2.3544
H4	1.0861	2.0038	2.3544		1.8078
H5	1.0861	2.0038	2.3544	1.8078

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	110.490	F2	C1	H4	109.381
F2	C1	H5	109.381	Cl3	C1	H4	107.452
Cl3	C1	H5	107.452	H4	C1	H5	112.656

All results from a given calculation for CH₂FCl (fluorochloromethane)

using model chemistry: B3LYP/cc-pV(T+d)Z

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	0.173
2	F	-0.197
3	Cl	-0.150
4	H	0.087
5	H	0.087

	x	y	z	Total
	-0.926	1.575	0.000	1.827
CHELPG
AIM
ESP

	x	y	z
x	3.586	0.721	0.000
y	0.721	4.603	0.000
z	0.000	0.000	3.047

<r²>	66.125
(<r²>)^1/2	8.132

All results from a given calculation for CH2FCl (fluorochloromethane)

using model chemistry: B3LYP/cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₂FCl (fluorochloromethane)