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	hartrees
Energy at 0K	-1053.756099
Energy at 298.15K	-1053.757792
Nuclear repulsion energy	201.499356

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3211	3098	3.42
2	A'	1329	1283	24.26
3	A'	1149	1109	160.41
4	A'	651	628	53.56
5	A'	388	375	5.74
6	A'	243	234	0.96
7	A"	1228	1184	67.36
8	A"	669	645	271.83
9	A"	317	306	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.180	0.586	0.000
H2	-1.114	1.133	0.000
F3	0.923	1.383	0.000
Cl4	-0.180	-0.503	1.535
Cl5	-0.180	-0.503	-1.535

	C1	H2	F3	Cl4	Cl5
C1		1.0832	1.3607	1.8816	1.8816
H2	1.0832		2.0522	2.4303	2.4303
F3	1.3607	2.0522		2.6700	2.6700
Cl4	1.8816	2.4303	2.6700		3.0694
Cl5	1.8816	2.4303	2.6700	3.0694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	113.740	H2	C1	Cl4	107.008
H2	C1	Cl5	107.008	F3	C1	Cl4	109.828
F3	C1	Cl5	109.828	Cl4	C1	Cl5	109.298

All results from a given calculation for CHFCl₂ (fluorodichloromethane)

using model chemistry: B3LYP/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	-0.185
2	H	0.306
3	F	-0.218
4	Cl	0.048
5	Cl	0.048

	x	y	z	Total
	-1.250	1.359	0.000	1.846
CHELPG
AIM
ESP

	x	y	z
x	2.314	0.239	0.000
y	0.239	3.702	0.000
z	0.000	0.000	6.498

<r²>	142.474
(<r²>)^1/2	11.936

All results from a given calculation for CHFCl2 (fluorodichloromethane)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for CHFCl₂ (fluorodichloromethane)