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	hartrees
Energy at 0K	-1056.955818
Energy at 298.15K	-1056.957941
HF Energy	-1056.955818
Nuclear repulsion energy	212.967561

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3335	3023	3.85
2	A'	1477	1339	21.78
3	A'	1236	1121	210.36
4	A'	798	724	45.22
5	A'	498	451	1.56
6	A'	299	271	0.14
7	A"	1389	1259	73.02
8	A"	892	809	253.72
9	A"	403	365	0.44

Atom	x (Å)	y (Å)	z (Å)
C1	-0.175	0.518	0.000
H2	-1.060	1.123	0.000
F3	0.895	1.296	0.000
Cl4	-0.175	-0.468	1.453
Cl5	-0.175	-0.468	-1.453

	C1	H2	F3	Cl4	Cl5
C1		1.0719	1.3236	1.7556	1.7556
H2	1.0719		1.9630	2.3287	2.3287
F3	1.3236	1.9630		2.5235	2.5235
Cl4	1.7556	2.3287	2.5235		2.9062
Cl5	1.7556	2.3287	2.5235	2.9062

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.609	H2	C1	Cl4	108.462
H2	C1	Cl5	108.462	F3	C1	Cl4	109.276
F3	C1	Cl5	109.276	Cl4	C1	Cl5	111.727

All results from a given calculation for CHFCl₂ (fluorodichloromethane)

using model chemistry: HF/Def2TZVPP

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	0.295
2	H	0.082
3	F	-0.216
4	Cl	-0.081
5	Cl	-0.081

	x	y	z	Total
	-1.261	0.620	0.000	1.405
CHELPG
AIM
ESP

	x	y	z
x	4.054	0.117	0.000
y	0.117	4.765	0.000
z	0.000	0.000	6.665

<r²>	129.393
(<r²>)^1/2	11.375

All results from a given calculation for CHFCl2 (fluorodichloromethane)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for CHFCl₂ (fluorodichloromethane)