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	hartrees
Energy at 0K	-596.457881
Energy at 298.15K	-596.460501
Nuclear repulsion energy	99.776248

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3126	2968	22.04
2	A'	1570	1491	0.06
3	A'	1418	1347	33.23
4	A'	1110	1054	106.93
5	A'	704	668	104.02
6	A'	358	340	1.96
7	A"	3196	3035	15.27
8	A"	1272	1208	0.65
9	A"	1034	982	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.818	0.000
F2	1.386	0.763	0.000
Cl3	-0.691	-0.847	0.000
H4	-0.367	1.308	0.900
H5	-0.367	1.308	-0.900

	C1	F2	Cl3	H4	H5
C1		1.3874	1.8020	1.0886	1.0886
F2	1.3874		2.6280	2.0446	2.0446
Cl3	1.8020	2.6280		2.3574	2.3574
H4	1.0886	2.0446	2.3574		1.8004
H5	1.0886	2.0446	2.3574	1.8004

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	110.290	F2	C1	H4	110.749
F2	C1	H5	110.749	Cl3	C1	H4	106.665
Cl3	C1	H5	106.665	H4	C1	H5	111.561

All results from a given calculation for CH₂FCl (fluorochloromethane)

using model chemistry: mPW1PW91/3-21G*

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	-0.195
2	F	-0.279
3	Cl	-0.049
4	H	0.261
5	H	0.261

	x	y	z	Total
	-1.043	1.836	0.000	2.112
CHELPG
AIM
ESP

	x	y	z
x	2.715	0.741	0.000
y	0.741	3.724	0.000
z	0.000	0.000	2.192

<r²>	67.091
(<r²>)^1/2	8.191

All results from a given calculation for CH2FCl (fluorochloromethane)

using model chemistry: mPW1PW91/3-21G*

States and conformations

All results from a given calculation for CH₂FCl (fluorochloromethane)