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	hartrees
Energy at 0K	-1059.108547
Energy at 298.15K	-1059.110511
HF Energy	-1059.108547
Nuclear repulsion energy	211.890961

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3174	3042	1.07
2	A'	1335	1280	11.21
3	A'	1119	1073	189.04
4	A'	744	713	40.65
5	A'	461	442	1.15
6	A'	274	263	0.05
7	A"	1254	1202	48.03
8	A"	804	770	243.13
9	A"	368	353	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.176	0.521	0.000
H2	-1.077	1.120	0.000
F3	0.902	1.312	0.000
Cl4	-0.176	-0.472	1.456
Cl5	-0.176	-0.472	-1.456

	C1	H2	F3	Cl4	Cl5
C1		1.0827	1.3375	1.7619	1.7619
H2	1.0827		1.9885	2.3383	2.3383
F3	1.3375	1.9885		2.5427	2.5427
Cl4	1.7619	2.3383	2.5427		2.9111
Cl5	1.7619	2.3383	2.5427	2.9111

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.049	H2	C1	Cl4	108.193
H2	C1	Cl5	108.193	F3	C1	Cl4	109.486
F3	C1	Cl5	109.486	Cl4	C1	Cl5	111.411

All results from a given calculation for CHFCl₂ (fluorodichloromethane)

using model chemistry: B1B95/aug-cc-pVTZ

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	0.172
2	H	0.323
3	F	-0.292
4	Cl	-0.102
5	Cl	-0.102

	x	y	z	Total
	-1.139	0.552	0.000	1.266
CHELPG
AIM
ESP

	x	y	z
x	5.384	0.190	0.000
y	0.190	6.013	0.000
z	0.000	0.000	7.994

<r²>	130.109
(<r²>)^1/2	11.407

All results from a given calculation for CHFCl2 (fluorodichloromethane)

using model chemistry: B1B95/aug-cc-pVTZ

States and conformations

All results from a given calculation for CHFCl₂ (fluorodichloromethane)