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	hartrees
Energy at 0K	-695.172328
Energy at 298.15K	-695.174458
Nuclear repulsion energy	165.327612

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	3035	27.54
2	A'	1353	1292	68.14
3	A'	1109	1059	172.67
4	A'	754	720	186.66
5	A'	557	532	15.61
6	A'	378	361	0.47
7	A"	1410	1346	30.18
8	A"	1192	1138	144.04
9	A"	342	326	2.46

Atom	x (Å)	y (Å)	z (Å)
C1	-0.579	-0.084	0.000
H2	-1.434	0.584	0.000
Cl3	0.901	0.923	0.000
F4	-0.579	-0.876	1.114
F5	-0.579	-0.876	-1.114

	C1	H2	Cl3	F4	F5
C1		1.0851	1.7902	1.3672	1.3672
H2	1.0851		2.3596	2.0263	2.0263
Cl3	1.7902	2.3596		2.5827	2.5827
F4	1.3672	2.0263	2.5827		2.2279
F5	1.3672	2.0263	2.5827	2.2279

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	107.766	H2	C1	F4	110.917
H2	C1	Cl5	110.917	F3	C1	F4	109.034
F3	C1	Cl5	109.034	F4	C1	Cl5	109.125

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: B1B95/3-21G*

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	0.286
2	H	0.260
3	Cl	-0.011
4	F	-0.267
5	F	-0.267

	x	y	z	Total
	-1.365	0.945	0.000	1.661
CHELPG
AIM
ESP

	x	y	z
x	3.336	0.917	0.000
y	0.917	2.898	0.000
z	0.000	0.000	2.363

<r²>	92.611
(<r²>)^1/2	9.623

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: B1B95/3-21G*

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)