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	hartrees
Energy at 0K	-60.213874
Energy at 298.15K	-60.215638
Nuclear repulsion energy	61.123070

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3203	3101	10.51
2	A'	1285	1244	19.26
3	A'	1000	969	203.46
4	A'	678	657	52.50
5	A'	414	401	2.94
6	A'	256	248	0.35
7	A"	1226	1188	62.89
8	A"	737	714	267.02
9	A"	334	323	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	-0.190	0.542	0.000
H2	-1.083	1.175	0.000
F3	0.963	1.359	0.000
Cl4	-0.190	-0.490	1.539
Cl5	-0.190	-0.490	-1.539

	C1	H2	F3	Cl4	Cl5
C1		1.0956	1.4128	1.8528	1.8528
H2	1.0956		2.0544	2.4373	2.4373
F3	1.4128	2.0544		2.6673	2.6673
Cl4	1.8528	2.4373	2.6673		3.0783
Cl5	1.8528	2.4373	2.6673	3.0783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.319	H2	C1	Cl4	108.784
H2	C1	Cl5	108.784	F3	C1	Cl4	108.784
F3	C1	Cl5	108.784	Cl4	C1	Cl5	112.348

All results from a given calculation for CHFCl₂ (fluorodichloromethane)

using model chemistry: B3LYP/CEP-31G

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	-0.271
2	H	0.288
3	F	-0.134
4	Cl	0.059
5	Cl	0.059

	x	y	z	Total
	-1.781	0.636	0.000	1.891
CHELPG
AIM
ESP

	x	y	z
x	2.067	0.328	0.000
y	0.328	3.706	0.000
z	0.000	0.000	6.693

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CHFCl2 (fluorodichloromethane)

using model chemistry: B3LYP/CEP-31G

States and conformations

All results from a given calculation for CHFCl₂ (fluorodichloromethane)