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	hartrees
Energy at 0K	-690.102849
Energy at 298.15K	-690.104795
Nuclear repulsion energy	159.896543

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3220	2850	9.30
2	A'	1305	1155	83.06
3	A'	1188	1051	86.55
4	A'	760	672	100.56
5	A'	562	498	12.28
6	A'	381	337	0.81
7	A"	1458	1290	64.19
8	A"	1248	1104	51.78
9	A"	324	287	3.93

Atom	x (Å)	y (Å)	z (Å)
C1	-0.614	-0.123	0.000
H2	-1.471	0.614	0.000
Cl3	0.953	0.972	0.000
F4	-0.614	-0.911	1.128
F5	-0.614	-0.911	-1.128

	C1	H2	Cl3	F4	F5
C1		1.1306	1.9110	1.3759	1.3759
H2	1.1306		2.4506	2.0814	2.0814
Cl3	1.9110	2.4506		2.6963	2.6963
F4	1.3759	2.0814	2.6963		2.2555
F5	1.3759	2.0814	2.6963	2.2555

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	104.407	H2	C1	F4	111.915
H2	C1	Cl5	111.915	F3	C1	F4	109.152
F3	C1	Cl5	109.152	F4	C1	Cl5	110.099

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: B3PW91/STO-3G

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	0.187
2	H	0.114
3	Cl	-0.208
4	F	-0.047
5	F	-0.047

	x	y	z	Total
	-2.210	-0.798	0.000	2.350
CHELPG
AIM
ESP

	x	y	z
x	2.127	0.993	0.000
y	0.993	1.859	0.000
z	0.000	0.000	1.296

<r²>	97.112
(<r²>)^1/2	9.855

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: B3PW91/STO-3G

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)