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	hartrees
Energy at 0K	-599.362094
Energy at 298.15K	-599.364753
Nuclear repulsion energy	101.173993

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3094	2974	25.71
2	A'	1477	1420	1.22
3	A'	1351	1299	42.70
4	A'	1128	1084	178.77
5	A'	750	721	97.83
6	A'	383	368	1.26
7	A"	3178	3055	13.46
8	A"	1242	1193	3.34
9	A"	991	953	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.806	0.000
F2	1.353	0.765	0.000
Cl3	-0.674	-0.843	0.000
H4	-0.356	1.304	0.910
H5	-0.356	1.304	-0.910

	C1	F2	Cl3	H4	H5
C1		1.3535	1.7814	1.0965	1.0965
F2	1.3535		2.5871	2.0095	2.0095
Cl3	1.7814	2.5871		2.3532	2.3532
H4	1.0965	2.0095	2.3532		1.8199
H5	1.0965	2.0095	2.3532	1.8199

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	110.487	F2	C1	H4	109.765
F2	C1	H5	109.765	Cl3	C1	H4	107.302
Cl3	C1	H5	107.302	H4	C1	H5	112.168

All results from a given calculation for CH₂FCl (fluorochloromethane)

using model chemistry: B1B95/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	0.169
2	F	-0.194
3	Cl	-0.133
4	H	0.079
5	H	0.079

	x	y	z	Total
	-0.874	1.623	0.000	1.843
CHELPG
AIM
ESP

	x	y	z
x	2.854	0.727	0.000
y	0.727	4.004	0.000
z	0.000	0.000	2.410

<r²>	65.477
(<r²>)^1/2	8.092

All results from a given calculation for CH2FCl (fluorochloromethane)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for CH₂FCl (fluorochloromethane)