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	hartrees
Energy at 0K	-1046.886327
Energy at 298.15K	-1046.888045
Nuclear repulsion energy	202.172093

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3301	2922	0.56
2	A'	1391	1231	69.75
3	A'	1262	1117	61.76
4	A'	741	656	43.66
5	A'	452	400	7.81
6	A'	251	222	2.49
7	A"	1263	1117	52.80
8	A"	836	740	172.32
9	A"	352	312	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.174	0.567	0.000
H2	-1.152	1.117	0.000
F3	0.901	1.400	0.000
Cl4	-0.174	-0.503	1.528
Cl5	-0.174	-0.503	-1.528

	C1	H2	F3	Cl4	Cl5
C1		1.1217	1.3605	1.8652	1.8652
H2	1.1217		2.0723	2.4320	2.4320
F3	1.3605	2.0723		2.6672	2.6672
Cl4	1.8652	2.4320	2.6672		3.0554
Cl5	1.8652	2.4320	2.6672	3.0554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	112.853	H2	C1	Cl4	106.344
H2	C1	Cl5	106.344	F3	C1	Cl4	110.576
F3	C1	Cl5	110.576	Cl4	C1	Cl5	109.977

All results from a given calculation for CHFCl₂ (fluorodichloromethane)

using model chemistry: B3PW91/STO-3G

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	0.118
2	H	0.144
3	F	-0.011
4	Cl	-0.125
5	Cl	-0.125

	x	y	z	Total
	-0.446	2.092	0.000	2.139
CHELPG
AIM
ESP

	x	y	z
x	1.097	0.264	0.000
y	0.264	2.106	0.000
z	0.000	0.000	3.847

<r²>	139.733
(<r²>)^1/2	11.821

All results from a given calculation for CHFCl2 (fluorodichloromethane)

using model chemistry: B3PW91/STO-3G

States and conformations

All results from a given calculation for CHFCl₂ (fluorodichloromethane)