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	hartrees
Energy at 0K	-695.021437
Energy at 298.15K	-695.023510
Nuclear repulsion energy	162.217434

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3216	3070	20.85
2	A'	1318	1258	81.57
3	A'	1134	1082	205.80
4	A'	707	675	176.77
5	A'	560	535	19.78
6	A'	352	336	3.65
7	A"	1424	1359	45.60
8	A"	1230	1174	150.46
9	A"	321	306	3.79

Atom	x (Å)	y (Å)	z (Å)
C1	-0.622	-0.106	0.000
H2	-1.432	0.613	0.000
Cl3	0.962	0.935	0.000
F4	-0.622	-0.881	1.113
F5	-0.622	-0.881	-1.113

	C1	H2	Cl3	F4	F5
C1		1.0834	1.8957	1.3561	1.3561
H2	1.0834		2.4159	2.0316	2.0316
Cl3	1.8957	2.4159		2.6545	2.6545
F4	1.3561	2.0316	2.6545		2.2259
F5	1.3561	2.0316	2.6545	2.2259

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	105.092	H2	C1	F4	112.292
H2	C1	Cl5	112.292	F3	C1	F4	108.290
F3	C1	Cl5	108.290	F4	C1	Cl5	110.303

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: mPW1PW91/3-21G

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	0.253
2	H	0.282
3	Cl	-0.023
4	F	-0.256
5	F	-0.256

	x	y	z	Total
	-2.026	0.485	0.000	2.084
CHELPG
AIM
ESP

	x	y	z
x	3.503	1.255	0.000
y	1.255	2.783	0.000
z	0.000	0.000	2.051

<r²>	96.603
(<r²>)^1/2	9.829

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: mPW1PW91/3-21G

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)