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	hartrees
Energy at 0K	-698.511756
Energy at 298.15K	-698.514003
HF Energy	-698.511756
Nuclear repulsion energy	167.524668

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3181	3030	13.49
2	A'	1338	1274	78.69
3	A'	1131	1078	250.55
4	A'	821	782	163.75
5	A'	596	568	7.35
6	A'	413	394	0.25
7	A"	1387	1322	22.47
8	A"	1152	1097	264.81
9	A"	368	350	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	-0.573	-0.079	0.000
H2	-1.450	0.560	0.000
Cl3	0.894	0.919	0.000
F4	-0.573	-0.873	1.085
F5	-0.573	-0.873	-1.085

	C1	H2	Cl3	F4	F5
C1		1.0852	1.7737	1.3450	1.3450
H2	1.0852		2.3708	2.0004	2.0004
Cl3	1.7737	2.3708		2.5576	2.5576
F4	1.3450	2.0004	2.5576		2.1706
F5	1.3450	2.0004	2.5576	2.1706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.689	H2	C1	F4	110.345
H2	C1	Cl5	110.345	F3	C1	F4	109.417
F3	C1	Cl5	109.417	F4	C1	Cl5	107.592

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: wB97X-D/cc-pVDZ

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	0.235
2	H	0.193
3	Cl	0.031
4	F	-0.230
5	F	-0.230

	x	y	z	Total
	-1.197	1.070	0.000	1.605
CHELPG
AIM
ESP

	x	y	z
x	4.200	0.838	0.000
y	0.838	3.905	0.000
z	0.000	0.000	3.353

<r²>	91.129
(<r²>)^1/2	9.546

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)