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	hartrees
Energy at 0K	-1058.828491
Energy at 298.15K	-1058.830331
Nuclear repulsion energy	204.750416

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3256	3082	2.47
2	A'	1331	1260	16.16
3	A'	1092	1033	171.16
4	A'	698	661	52.17
5	A'	427	404	3.66
6	A'	265	251	0.70
7	A"	1273	1205	55.22
8	A"	746	706	271.08
9	A"	347	328	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	-0.185	0.542	0.000
H2	-1.080	1.152	0.000
F3	0.942	1.340	0.000
Cl4	-0.185	-0.484	1.513
Cl5	-0.185	-0.484	-1.513

	C1	H2	F3	Cl4	Cl5
C1		1.0829	1.3814	1.8280	1.8280
H2	1.0829		2.0307	2.4013	2.4013
F3	1.3814	2.0307		2.6244	2.6244
Cl4	1.8280	2.4013	2.6244		3.0260
Cl5	1.8280	2.4013	2.6244	3.0260

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.401	H2	C1	Cl4	108.439
H2	C1	Cl5	108.439	F3	C1	Cl4	108.920
F3	C1	Cl5	108.920	Cl4	C1	Cl5	111.722

All results from a given calculation for CHFCl₂ (fluorodichloromethane)

using model chemistry: mPW1PW91/6-31G

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	-0.220
2	H	0.283
3	F	-0.261
4	Cl	0.099
5	Cl	0.099

	x	y	z	Total
	-1.576	0.850	0.000	1.791
CHELPG
AIM
ESP

	x	y	z
x	2.560	0.260	0.000
y	0.260	3.739	0.000
z	0.000	0.000	6.348

<r²>	138.453
(<r²>)^1/2	11.767

All results from a given calculation for CHFCl2 (fluorodichloromethane)

using model chemistry: mPW1PW91/6-31G

States and conformations

All results from a given calculation for CHFCl₂ (fluorodichloromethane)