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	hartrees
Energy at 0K	-698.241062
Energy at 298.15K	-698.243206
Nuclear repulsion energy	165.915800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3067	3035	28.94
2	A'	1290	1276	77.29
3	A'	1077	1066	234.76
4	A'	754	747	183.55
5	A'	577	571	8.40
6	A'	388	384	1.37
7	A"	1341	1327	24.76
8	A"	1099	1087	246.61
9	A"	351	347	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	-0.576	-0.096	0.000
H2	-1.460	0.555	0.000
Cl3	0.899	0.935	0.000
F4	-0.576	-0.882	1.097
F5	-0.576	-0.882	-1.097

	C1	H2	Cl3	F4	F5
C1		1.0976	1.8001	1.3493	1.3493
H2	1.0976		2.3900	2.0120	2.0120
Cl3	1.8001	2.3900		2.5849	2.5849
F4	1.3493	2.0120	2.5849		2.1937
F5	1.3493	2.0120	2.5849	2.1937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	108.704	H2	C1	F4	110.193
H2	C1	Cl5	110.193	F3	C1	F4	109.488
F3	C1	Cl5	109.488	F4	C1	Cl5	108.762

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: PBEPBE/6-311G*

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	0.140
2	H	0.240
3	Cl	-0.073
4	F	-0.154
5	F	-0.154

	x	y	z	Total
	-1.343	0.672	0.000	1.502
CHELPG
AIM
ESP

	x	y	z
x	3.922	1.135	0.000
y	1.135	3.420	0.000
z	0.000	0.000	2.673

<r²>	92.639
(<r²>)^1/2	9.625

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: PBEPBE/6-311G*

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)