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	hartrees
Energy at 0K	-1056.935341
Energy at 298.15K	-1056.937467
HF Energy	-1056.935341
Nuclear repulsion energy	211.904765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3353	3046	4.55
2	A'	1484	1349	33.88
3	A'	1242	1129	237.08
4	A'	796	723	52.12
5	A'	497	451	2.35
6	A'	298	271	0.30
7	A"	1391	1264	93.88
8	A"	891	809	270.30
9	A"	404	367	0.61

Atom	x (Å)	y (Å)	z (Å)
C1	-0.174	0.523	0.000
H2	-1.063	1.124	0.000
F3	0.893	1.301	0.000
Cl4	-0.174	-0.470	1.464
Cl5	-0.174	-0.470	-1.464

	C1	H2	F3	Cl4	Cl5
C1		1.0725	1.3208	1.7686	1.7686
H2	1.0725		1.9633	2.3390	2.3390
F3	1.3208	1.9633		2.5333	2.5333
Cl4	1.7686	2.3390	2.5333		2.9279
Cl5	1.7686	2.3390	2.5333	2.9279

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.798	H2	C1	Cl4	108.327
H2	C1	Cl5	108.327	F3	C1	Cl4	109.312
F3	C1	Cl5	109.312	Cl4	C1	Cl5	111.739

All results from a given calculation for CHFCl₂ (fluorodichloromethane)

using model chemistry: HF/TZVP

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	0.269
2	H	0.127
3	F	-0.202
4	Cl	-0.097
5	Cl	-0.097

	x	y	z	Total
	-1.391	0.679	0.000	1.547
CHELPG
AIM
ESP

	x	y	z
x	3.347	0.088	0.000
y	0.088	4.177	0.000
z	0.000	0.000	6.166

<r²>	130.783
(<r²>)^1/2	11.436

All results from a given calculation for CHFCl2 (fluorodichloromethane)

using model chemistry: HF/TZVP

States and conformations

All results from a given calculation for CHFCl₂ (fluorodichloromethane)