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	hartrees
Energy at 0K	-698.354009
Energy at 298.15K	-698.356104
Nuclear repulsion energy	162.622677

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3224	3087	14.87
2	A'	1316	1261	68.45
3	A'	1074	1028	204.46
4	A'	746	714	166.39
5	A'	543	520	14.50
6	A'	375	359	0.17
7	A"	1362	1305	21.91
8	A"	1130	1083	195.72
9	A"	338	324	2.38

Atom	x (Å)	y (Å)	z (Å)
C1	-0.595	-0.089	0.000
H2	-1.461	0.566	0.000
Cl3	0.926	0.944	0.000
F4	-0.595	-0.894	1.121
F5	-0.595	-0.894	-1.121

	C1	H2	Cl3	F4	F5
C1		1.0855	1.8395	1.3799	1.3799
H2	1.0855		2.4166	2.0339	2.0339
Cl3	1.8395	2.4166		2.6364	2.6364
F4	1.3799	2.0339	2.6364		2.2429
F5	1.3799	2.0339	2.6364	2.2429

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	108.662	H2	C1	F4	110.599
H2	C1	Cl5	110.599	F3	C1	F4	109.117
F3	C1	Cl5	109.117	F4	C1	Cl5	108.719

All results from a given calculation for CHF₂Cl (difluorochloromethane)

using model chemistry: B3PW91/6-31G

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	0.231
2	H	0.237
3	Cl	0.063
4	F	-0.265
5	F	-0.265

	x	y	z	Total
	-1.558	1.107	0.000	1.911
CHELPG
AIM
ESP

	x	y	z
x	3.506	1.179	0.000
y	1.179	3.009	0.000
z	0.000	0.000	2.363

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CHF2Cl (difluorochloromethane)

using model chemistry: B3PW91/6-31G

States and conformations

All results from a given calculation for CHF₂Cl (difluorochloromethane)