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	hartrees
Energy at 0K	-698.596442
Energy at 298.15K	-698.598633
Nuclear repulsion energy	166.503232

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3161	3043	12.19
2	A'	1327	1277	74.52
3	A'	1099	1058	244.66
4	A'	792	763	169.09
5	A'	582	560	7.13
6	A'	401	386	0.09
7	A"	1363	1312	18.91
8	A"	1114	1072	263.94
9	A"	359	345	0.63

Atom	x (Å)	y (Å)	z (Å)
C1	-0.570	-0.088	0.000
H2	-1.459	0.543	0.000
Cl3	0.891	0.933	0.000
F4	-0.570	-0.882	1.094
F5	-0.570	-0.882	-1.094

	C1	H2	Cl3	F4	F5
C1		1.0901	1.7824	1.3517	1.3517
H2	1.0901		2.3822	2.0043	2.0043
Cl3	1.7824	2.3822		2.5742	2.5742
F4	1.3517	2.0043	2.5742		2.1876
F5	1.3517	2.0043	2.5742	2.1876

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.698	H2	C1	F4	109.870
H2	C1	Cl5	109.870	F3	C1	F4	109.673
F3	C1	Cl5	109.673	F4	C1	Cl5	108.033

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: B3LYPultrafine/6-31+G**

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	0.264
2	H	0.179
3	Cl	0.028
4	F	-0.236
5	F	-0.236

	x	y	z	Total
	-1.164	1.095	0.000	1.598
CHELPG
AIM
ESP

	x	y	z
x	4.336	0.891	-0.003
y	0.891	4.055	-0.002
z	-0.003	-0.002	3.478

<r²>	92.219
(<r²>)^1/2	9.603

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: B3LYPultrafine/6-31+G**

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)