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	hartrees
Energy at 0K	-1058.310321
Energy at 298.15K	-1058.312038
Nuclear repulsion energy	202.131420

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3145	3102	4.22
2	A'	1270	1252	14.01
3	A'	1036	1021	172.44
4	A'	663	654	52.98
5	A'	405	400	3.64
6	A'	250	247	0.46
7	A"	1207	1190	49.40
8	A"	684	674	293.66
9	A"	327	323	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	-0.186	0.552	0.000
H2	-1.098	1.156	0.000
F3	0.948	1.363	0.000
Cl4	-0.186	-0.492	1.532
Cl5	-0.186	-0.492	-1.532

	C1	H2	F3	Cl4	Cl5
C1		1.0939	1.3935	1.8544	1.8544
H2	1.0939		2.0565	2.4281	2.4281
F3	1.3935	2.0565		2.6596	2.6596
Cl4	1.8544	2.4281	2.6596		3.0649
Cl5	1.8544	2.4281	2.6596	3.0649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.959	H2	C1	Cl4	108.097
H2	C1	Cl5	108.097	F3	C1	Cl4	109.117
F3	C1	Cl5	109.117	Cl4	C1	Cl5	111.458

All results from a given calculation for CHFCl₂ (fluorodichloromethane)

using model chemistry: PBEPBE/6-31G

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	-0.227
2	H	0.267
3	F	-0.213
4	Cl	0.087
5	Cl	0.087

	x	y	z	Total
	-1.396	0.966	0.000	1.698
CHELPG
AIM
ESP

	x	y	z
x	2.685	0.319	0.000
y	0.319	3.953	0.000
z	0.000	0.000	6.747

<r²>	141.467
(<r²>)^1/2	11.894

All results from a given calculation for CHFCl2 (fluorodichloromethane)

using model chemistry: PBEPBE/6-31G

States and conformations

All results from a given calculation for CHFCl₂ (fluorodichloromethane)