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	hartrees
Energy at 0K	-698.659849
Energy at 298.15K	-698.662088
Nuclear repulsion energy	168.088901

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3171	3040	27.37
2	A'	1350	1294	89.69
3	A'	1138	1091	255.61
4	A'	802	769	178.56
5	A'	602	577	8.93
6	A'	411	394	0.20
7	A"	1400	1342	30.87
8	A"	1170	1122	251.98
9	A"	367	352	0.99

Atom	x (Å)	y (Å)	z (Å)
C1	-0.567	-0.093	0.000
H2	-1.448	0.545	0.000
Cl3	0.886	0.923	0.000
F4	-0.567	-0.871	1.083
F5	-0.567	-0.871	-1.083

	C1	H2	Cl3	F4	F5
C1		1.0870	1.7732	1.3337	1.3337
H2	1.0870		2.3640	1.9883	1.9883
Cl3	1.7732	2.3640		2.5505	2.5505
F4	1.3337	1.9883	2.5505		2.1656
F5	1.3337	1.9883	2.5505	2.1656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.125	H2	C1	F4	110.032
H2	C1	Cl5	110.032	F3	C1	F4	109.540
F3	C1	Cl5	109.540	F4	C1	Cl5	108.559

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: B1B95/6-311G*

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	0.190
2	H	0.242
3	Cl	-0.071
4	F	-0.181
5	F	-0.181

	x	y	z	Total
	-1.302	0.837	0.000	1.548
CHELPG
AIM
ESP

	x	y	z
x	3.721	1.031	0.000
y	1.031	3.230	0.000
z	0.000	0.000	2.533

<r²>	90.601
(<r²>)^1/2	9.518

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: B1B95/6-311G*

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)