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	hartrees
Energy at 0K	-1056.829289
Energy at 298.15K	-1056.831415
HF Energy	-1056.829289
Nuclear repulsion energy	212.511786

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3402	3057	9.21
2	A'	1496	1344	35.16
3	A'	1253	1126	208.29
4	A'	810	727	51.46
5	A'	498	447	2.80
6	A'	305	274	0.43
7	A"	1425	1280	97.14
8	A"	908	816	269.22
9	A"	404	363	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	-0.177	0.516	0.000
H2	-1.058	1.127	0.000
F3	0.902	1.292	0.000
Cl4	-0.177	-0.466	1.459
Cl5	-0.177	-0.466	-1.459

	C1	H2	F3	Cl4	Cl5
C1		1.0722	1.3288	1.7585	1.7585
H2	1.0722		1.9673	2.3328	2.3328
F3	1.3288	1.9673		2.5262	2.5262
Cl4	1.7585	2.3328	2.5262		2.9172
Cl5	1.7585	2.3328	2.5262	2.9172

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.578	H2	C1	Cl4	108.551
H2	C1	Cl5	108.551	F3	C1	Cl4	109.024
F3	C1	Cl5	109.024	Cl4	C1	Cl5	112.084

All results from a given calculation for CHFCl₂ (fluorodichloromethane)

using model chemistry: HF/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	0.075
2	H	0.251
3	F	-0.319
4	Cl	-0.004
5	Cl	-0.004

	x	y	z	Total
	-1.346	0.733	0.000	1.533
CHELPG
AIM
ESP

	x	y	z
x	3.009	0.071	-0.002
y	0.071	3.854	-0.003
z	-0.002	-0.003	5.846

<r²>	129.989
(<r²>)^1/2	11.401

All results from a given calculation for CHFCl2 (fluorodichloromethane)

using model chemistry: HF/6-31G*

States and conformations

All results from a given calculation for CHFCl₂ (fluorodichloromethane)