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	hartrees
Energy at 0K	-696.937394
Energy at 298.15K	-696.939789
Nuclear repulsion energy	169.917351

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3321	3024	13.87
2	A'	1461	1330	89.89
3	A'	1243	1131	264.39
4	A'	872	794	168.76
5	A'	657	598	8.60
6	A'	449	408	0.31
7	A"	1518	1382	24.21
8	A"	1286	1171	238.62
9	A"	396	361	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	-0.565	-0.094	0.000
H2	-1.433	0.540	0.000
Cl3	0.882	0.916	0.000
F4	-0.565	-0.864	1.064
F5	-0.565	-0.864	-1.064

	C1	H2	Cl3	F4	F5
C1		1.0746	1.7639	1.3139	1.3139
H2	1.0746		2.3448	1.9638	1.9638
Cl3	1.7639	2.3448		2.5285	2.5285
F4	1.3139	1.9638	2.5285		2.1287
F5	1.3139	1.9638	2.5285	2.1287

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	108.970	H2	C1	F4	110.211
H2	C1	Cl5	110.211	F3	C1	F4	109.613
F3	C1	Cl5	109.613	F4	C1	Cl5	108.211

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: HF/aug-cc-pVTZ

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	0.565
2	H	0.343
3	Cl	-0.193
4	F	-0.358
5	F	-0.358

	x	y	z	Total
	-1.241	0.979	0.000	1.581
CHELPG
AIM
ESP

	x	y	z
x	4.495	0.633	0.000
y	0.633	4.246	0.000
z	0.000	0.000	3.850

<r²>	89.240
(<r²>)^1/2	9.447

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: HF/aug-cc-pVTZ

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)