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	hartrees
Energy at 0K	-599.373075
Energy at 298.15K	-599.375754
Nuclear repulsion energy	101.353219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3122	2980	32.12
2	A'	1523	1454	0.40
3	A'	1412	1347	52.61
4	A'	1123	1072	186.21
5	A'	758	723	108.60
6	A'	391	373	1.27
7	A"	3202	3056	17.43
8	A"	1286	1227	4.23
9	A"	1031	984	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.806	0.000
F2	1.351	0.763	0.000
Cl3	-0.675	-0.841	0.000
H4	-0.344	1.303	0.904
H5	-0.344	1.303	-0.904

	C1	F2	Cl3	H4	H5
C1		1.3519	1.7801	1.0873	1.0873
F2	1.3519		2.5841	1.9957	1.9957
Cl3	1.7801	2.5841		2.3502	2.3502
H4	1.0873	1.9957	2.3502		1.8073
H5	1.0873	1.9957	2.3502	1.8073

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	110.447	F2	C1	H4	109.336
F2	C1	H5	109.336	Cl3	C1	H4	107.637
Cl3	C1	H5	107.637	H4	C1	H5	112.425

All results from a given calculation for CH₂FCl (fluorochloromethane)

using model chemistry: mPW1PW91/6-311G*

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	-0.196
2	F	-0.218
3	Cl	-0.092
4	H	0.253
5	H	0.253

	x	y	z	Total
	-0.970	1.759	0.000	2.009
CHELPG
AIM
ESP

	x	y	z
x	2.834	0.807	0.000
y	0.807	4.119	0.000
z	0.000	0.000	2.342

<r²>	65.664
(<r²>)^1/2	8.103

All results from a given calculation for CH2FCl (fluorochloromethane)

using model chemistry: mPW1PW91/6-311G*

States and conformations

All results from a given calculation for CH₂FCl (fluorochloromethane)