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	hartrees
Energy at 0K	-60.281041
Energy at 298.15K	-60.282915
Nuclear repulsion energy	62.888277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3173	3065	13.45
2	A'	1327	1281	24.89
3	A'	1098	1060	226.56
4	A'	718	693	49.81
5	A'	445	430	1.77
6	A'	266	257	0.09
7	A"	1245	1202	75.49
8	A"	770	744	280.91
9	A"	357	345	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.180	0.529	0.000
H2	-1.087	1.147	0.000
F3	0.920	1.331	0.000
Cl4	-0.180	-0.479	1.494
Cl5	-0.180	-0.479	-1.494

	C1	H2	F3	Cl4	Cl5
C1		1.0973	1.3609	1.8024	1.8024
H2	1.0973		2.0152	2.3872	2.3872
F3	1.3609	2.0152		2.5918	2.5918
Cl4	1.8024	2.3872	2.5918		2.9874
Cl5	1.8024	2.3872	2.5918	2.9874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.670	H2	C1	Cl4	108.360
H2	C1	Cl5	108.360	F3	C1	Cl4	109.243
F3	C1	Cl5	109.243	Cl4	C1	Cl5	111.936

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	-0.064
2	H	0.251
3	F	-0.105
4	Cl	-0.041
5	Cl	-0.041

	x	y	z	Total
	-1.302	0.616	0.000	1.440
CHELPG
AIM
ESP

	x	y	z
x	2.935	0.183	0.000
y	0.183	4.243	0.000
z	0.000	0.000	6.620

<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)