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	hartrees
Energy at 0K	-1058.864608
Energy at 298.15K	-1058.866597
HF Energy	-1058.864608
Nuclear repulsion energy	210.463015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3188	3037	2.32
2	A'	1335	1271	17.36
3	A'	1115	1062	220.69
4	A'	751	715	46.83
5	A'	464	442	1.65
6	A'	285	272	0.09
7	A"	1295	1234	65.69
8	A"	821	782	262.39
9	A"	371	354	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	-0.177	0.517	0.000
H2	-1.079	1.127	0.000
F3	0.905	1.318	0.000
Cl4	-0.177	-0.473	1.471
Cl5	-0.177	-0.473	-1.471

	C1	H2	F3	Cl4	Cl5
C1		1.0894	1.3455	1.7732	1.7732
H2	1.0894		1.9931	2.3536	2.3536
F3	1.3455	1.9931		2.5576	2.5576
Cl4	1.7732	2.3536	2.5576		2.9412
Cl5	1.7732	2.3536	2.5576	2.9412

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.429	H2	C1	Cl4	108.229
H2	C1	Cl5	108.229	F3	C1	Cl4	109.423
F3	C1	Cl5	109.423	Cl4	C1	Cl5	112.064

All results from a given calculation for CHFCl₂ (fluorodichloromethane)

using model chemistry: wB97X-D/cc-pVDZ

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	-0.173
2	H	0.238
3	F	-0.183
4	Cl	0.059
5	Cl	0.059

	x	y	z	Total
	-1.309	0.619	0.000	1.448
CHELPG
AIM
ESP

	x	y	z
x	4.155	0.164	0.000
y	0.164	4.906	0.000
z	0.000	0.000	6.881

<r²>	131.917
(<r²>)^1/2	11.486

All results from a given calculation for CHFCl2 (fluorodichloromethane)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for CHFCl₂ (fluorodichloromethane)