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	hartrees
Energy at 0K	-1058.924379
Energy at 298.15K	-1058.926345
Nuclear repulsion energy	211.586345

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3168	3024	4.18
2	A'	1349	1288	18.02
3	A'	1167	1114	172.88
4	A'	745	712	41.23
5	A'	464	443	1.66
6	A'	275	263	0.16
7	A"	1258	1201	57.84
8	A"	803	767	251.69
9	A"	371	354	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.175	0.525	0.000
H2	-1.085	1.122	0.000
F3	0.897	1.311	0.000
Cl4	-0.175	-0.473	1.460
Cl5	-0.175	-0.473	-1.460

	C1	H2	F3	Cl4	Cl5
C1		1.0880	1.3288	1.7687	1.7687
H2	1.0880		1.9908	2.3457	2.3457
F3	1.3288	1.9908		2.5419	2.5419
Cl4	1.7687	2.3457	2.5419		2.9206
Cl5	1.7687	2.3457	2.5419	2.9206

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.530	H2	C1	Cl4	108.014
H2	C1	Cl5	108.014	F3	C1	Cl4	109.480
F3	C1	Cl5	109.480	Cl4	C1	Cl5	111.305

All results from a given calculation for CHFCl₂ (fluorodichloromethane)

using model chemistry: mPW1PW91/6-31G(2df,p)

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	0.070
2	H	0.201
3	F	-0.085
4	Cl	-0.093
5	Cl	-0.093

	x	y	z	Total
	-0.998	0.794	0.000	1.275
CHELPG
AIM
ESP

	x	y	z
x	4.034	0.135	0.000
y	0.135	4.810	0.000
z	0.000	0.000	6.861

<r²>	130.228
(<r²>)^1/2	11.412

All results from a given calculation for CHFCl2 (fluorodichloromethane)

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for CHFCl₂ (fluorodichloromethane)