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	hartrees
Energy at 0K	-599.378339
Energy at 298.15K	-599.380942
HF Energy	-599.378339
Nuclear repulsion energy	100.228768

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3025	2979	23.58
2	A'	1463	1441	0.18
3	A'	1334	1314	27.18
4	A'	1028	1012	173.67
5	A'	694	683	109.92
6	A'	367	361	0.80
7	A"	3102	3055	8.39
8	A"	1221	1202	2.16
9	A"	983	968	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.814	0.000
F2	1.370	0.771	0.000
Cl3	-0.685	-0.849	0.000
H4	-0.343	1.307	0.911
H5	-0.343	1.307	-0.911

	C1	F2	Cl3	H4	H5
C1		1.3711	1.7987	1.0913	1.0913
F2	1.3711		2.6174	2.0130	2.0130
Cl3	1.7987	2.6174		2.3661	2.3661
H4	1.0913	2.0130	2.3661		1.8220
H5	1.0913	2.0130	2.3661	1.8220

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	110.601	F2	C1	H4	109.143
F2	C1	H5	109.143	Cl3	C1	H4	107.373
Cl3	C1	H5	107.373	H4	C1	H5	113.188

All results from a given calculation for CH₂FCl (fluorochloromethane)

using model chemistry: B97D3/aug-cc-pVTZ

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	0.150
2	F	-0.357
3	Cl	-0.185
4	H	0.196
5	H	0.196

	x	y	z	Total
	-0.894	1.563	0.000	1.801
CHELPG
AIM
ESP

	x	y	z
x	4.693	0.651	0.000
y	0.651	5.384	0.000
z	0.000	0.000	4.058

<r²>	66.845
(<r²>)^1/2	8.176

All results from a given calculation for CH2FCl (fluorochloromethane)

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂FCl (fluorochloromethane)