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	hartrees
Energy at 0K	-599.346419
Energy at 298.15K	-599.349098
HF Energy	-599.346419
Nuclear repulsion energy	101.149852

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3108	2973	27.93
2	A'	1512	1446	0.29
3	A'	1391	1331	49.57
4	A'	1115	1067	187.39
5	A'	758	725	107.71
6	A'	390	373	1.39
7	A"	3188	3049	13.86
8	A"	1268	1213	4.15
9	A"	1023	978	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.807	0.000
F2	1.352	0.767	0.000
Cl3	-0.675	-0.844	0.000
H4	-0.352	1.303	0.904
H5	-0.352	1.303	-0.904

	C1	F2	Cl3	H4	H5
C1		1.3531	1.7841	1.0892	1.0892
F2	1.3531		2.5898	2.0024	2.0024
Cl3	1.7841	2.5898		2.3516	2.3516
H4	1.0892	2.0024	2.3516		1.8077
H5	1.0892	2.0024	2.3516	1.8077

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	110.526	F2	C1	H4	109.675
F2	C1	H5	109.675	Cl3	C1	H4	107.376
Cl3	C1	H5	107.376	H4	C1	H5	112.168

All results from a given calculation for CH₂FCl (fluorochloromethane)

using model chemistry: wB97X-D/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	0.008
2	F	-0.220
3	Cl	-0.109
4	H	0.161
5	H	0.161

	x	y	z	Total
	-0.980	1.802	0.000	2.051
CHELPG
AIM
ESP

	x	y	z
x	2.872	0.812	0.000
y	0.812	4.169	0.000
z	0.000	0.000	2.371

<r²>	65.855
(<r²>)^1/2	8.115

All results from a given calculation for CH2FCl (fluorochloromethane)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for CH₂FCl (fluorochloromethane)