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	hartrees
Energy at 0K	-599.011401
Energy at 298.15K	-599.014005
Nuclear repulsion energy	99.982305

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2991	2973	27.28
2	A'	1425	1417	1.03
3	A'	1297	1290	36.98
4	A'	1074	1068	168.95
5	A'	711	707	98.35
6	A'	368	365	1.09
7	A"	3071	3053	16.75
8	A"	1193	1186	2.63
9	A"	957	951	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.815	0.000
F2	1.367	0.782	0.000
Cl3	-0.680	-0.856	0.000
H4	-0.366	1.312	0.920
H5	-0.366	1.312	-0.920

	C1	F2	Cl3	H4	H5
C1		1.3670	1.8041	1.1080	1.1080
F2	1.3670		2.6217	2.0320	2.0320
Cl3	1.8041	2.6217		2.3760	2.3760
H4	1.1080	2.0320	2.3760		1.8406
H5	1.1080	2.0320	2.3760	1.8406

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	110.780	F2	C1	H4	109.927
F2	C1	H5	109.927	Cl3	C1	H4	106.909
Cl3	C1	H5	106.909	H4	C1	H5	112.318

All results from a given calculation for CH₂FCl (fluorochloromethane)

using model chemistry: PBEPBE/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	0.126
2	F	-0.161
3	Cl	-0.126
4	H	0.081
5	H	0.081

	x	y	z	Total
	-0.744	1.591	0.000	1.756
CHELPG
AIM
ESP

	x	y	z
x	2.994	0.783	0.000
y	0.783	4.162	0.000
z	0.000	0.000	2.485

<r²>	66.810
(<r²>)^1/2	8.174

All results from a given calculation for CH2FCl (fluorochloromethane)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for CH₂FCl (fluorochloromethane)