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	hartrees
Energy at 0K	-1058.851510
Energy at 298.15K	-1058.853488
HF Energy	-1058.851510
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3196	3031	7.85
2	A'	1365	1295	26.41
3	A'	1162	1103	193.36
4	A'	755	716	48.59
5	A'	465	441	2.33
6	A'	285	270	0.27
7	A"	1311	1244	71.10
8	A"	816	774	264.02
9	A"	372	353	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.176	0.522	0.000
H2	-1.084	1.123	0.000
F3	0.902	1.319	0.000
Cl4	-0.176	-0.474	1.470
Cl5	-0.176	-0.474	-1.470

	C1	H2	F3	Cl4	Cl5
C1		1.0894	1.3405	1.7754	1.7754
H2	1.0894		1.9959	2.3528	2.3528
F3	1.3405	1.9959		2.5566	2.5566
Cl4	1.7754	2.3528	2.5566		2.9398
Cl5	1.7754	2.3528	2.5566	2.9398

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.017	H2	C1	Cl4	108.029
H2	C1	Cl5	108.029	F3	C1	Cl4	109.480
F3	C1	Cl5	109.480	Cl4	C1	Cl5	111.777

All results from a given calculation for CHFCl₂ (fluorodichloromethane)

using model chemistry: wB97X-D/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	-0.032
2	H	0.250
3	F	-0.229
4	Cl	0.006
5	Cl	0.006

	x	y	z	Total
	-1.157	0.833	0.000	1.426
CHELPG
AIM
ESP

	x	y	z
x	3.154	0.125	0.000
y	0.125	4.077	0.000
z	0.000	0.000	6.161

<r²>	131.617
(<r²>)^1/2	11.472

All results from a given calculation for CHFCl2 (fluorodichloromethane)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for CHFCl₂ (fluorodichloromethane)