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	hartrees
Energy at 0K	-698.664248
Energy at 298.15K	-698.666502
Nuclear repulsion energy	168.210769

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3148	3020	16.55
2	A'	1331	1276	63.19
3	A'	1142	1095	231.44
4	A'	805	772	160.30
5	A'	607	582	7.09
6	A'	413	396	0.14
7	A"	1385	1329	17.62
8	A"	1170	1122	231.16
9	A"	367	352	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	-0.566	-0.094	0.000
H2	-1.444	0.547	0.000
Cl3	0.883	0.925	0.000
F4	-0.566	-0.873	1.081
F5	-0.566	-0.873	-1.081

	C1	H2	Cl3	F4	F5
C1		1.0874	1.7716	1.3325	1.3325
H2	1.0874		2.3576	1.9893	1.9893
Cl3	1.7716	2.3576		2.5499	2.5499
F4	1.3325	1.9893	2.5499		2.1621
F5	1.3325	1.9893	2.5499	2.1621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	108.733	H2	C1	F4	110.170
H2	C1	Cl5	110.170	F3	C1	F4	109.654
F3	C1	Cl5	109.654	F4	C1	Cl5	108.450

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: mPW1PW91/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	0.367
2	H	0.053
3	Cl	-0.126
4	F	-0.147
5	F	-0.147

	x	y	z	Total
	-1.158	0.808	0.000	1.413
CHELPG
AIM
ESP

	x	y	z
x	4.149	0.862	0.000
y	0.862	3.811	0.000
z	0.000	0.000	3.261

<r²>	90.315
(<r²>)^1/2	9.503

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)