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	hartrees
Energy at 0K	-599.321244
Energy at 298.15K	-599.323916
Nuclear repulsion energy	101.209175

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3131	2980	21.69
2	A'	1507	1434	0.00
3	A'	1393	1326	44.23
4	A'	1102	1048	192.12
5	A'	770	733	104.72
6	A'	387	368	1.62
7	A"	3215	3060	6.52
8	A"	1262	1201	2.87
9	A"	1022	973	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.804	0.000
F2	1.363	0.748	0.000
Cl3	-0.682	-0.834	0.000
H4	-0.331	1.309	0.906
H5	-0.331	1.309	-0.906

	C1	F2	Cl3	H4	H5
C1		1.3638	1.7745	1.0890	1.0890
F2	1.3638		2.5859	2.0014	2.0014
Cl3	1.7745	2.5859		2.3530	2.3530
H4	1.0890	2.0014	2.3530		1.8124
H5	1.0890	2.0014	2.3530	1.8124

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	110.283	F2	C1	H4	108.843
F2	C1	H5	108.843	Cl3	C1	H4	108.116
Cl3	C1	H5	108.116	H4	C1	H5	112.632

All results from a given calculation for CH₂FCl (fluorochloromethane)

using model chemistry: mPW1PW91/6-31+G**

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	-0.189
2	F	-0.238
3	Cl	0.018
4	H	0.205
5	H	0.205

	x	y	z	Total
	-1.117	1.683	0.000	2.020
CHELPG
AIM
ESP

	x	y	z
x	3.507	0.693	0.000
y	0.693	4.370	0.000
z	0.000	0.000	2.976

<r²>	65.784
(<r²>)^1/2	8.111

All results from a given calculation for CH2FCl (fluorochloromethane)

using model chemistry: mPW1PW91/6-31+G**

States and conformations

All results from a given calculation for CH₂FCl (fluorochloromethane)