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	hartrees
Energy at 0K	-599.432695
Energy at 298.15K	-599.435336
HF Energy	-599.432695
Nuclear repulsion energy	100.772195

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3080	2982	23.27
2	A'	1508	1460	0.01
3	A'	1367	1324	33.37
4	A'	1079	1045	171.73
5	A'	728	705	104.79
6	A'	374	362	1.07
7	A"	3159	3059	10.19
8	A"	1251	1212	2.54
9	A"	1003	971	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.808	0.000
F2	1.358	0.769	0.000
Cl3	-0.678	-0.846	0.000
H4	-0.351	1.302	0.904
H5	-0.351	1.302	-0.904

	C1	F2	Cl3	H4	H5
C1		1.3589	1.7874	1.0884	1.0884
F2	1.3589		2.5987	2.0059	2.0059
Cl3	1.7874	2.5987		2.3530	2.3530
H4	1.0884	2.0059	2.3530		1.8085
H5	1.0884	2.0059	2.3530	1.8085

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	110.633	F2	C1	H4	109.603
F2	C1	H5	109.603	Cl3	C1	H4	107.303
Cl3	C1	H5	107.303	H4	C1	H5	112.358

All results from a given calculation for CH₂FCl (fluorochloromethane)

using model chemistry: TPSSh/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	0.187
2	F	-0.187
3	Cl	-0.160
4	H	0.080
5	H	0.080

	x	y	z	Total
	-0.867	1.629	0.000	1.845
CHELPG
AIM
ESP

	x	y	z
x	3.593	0.735	0.000
y	0.735	4.598	0.000
z	0.000	0.000	3.028

<r²>	66.066
(<r²>)^1/2	8.128

All results from a given calculation for CH2FCl (fluorochloromethane)

using model chemistry: TPSSh/cc-pVTZ

States and conformations

All results from a given calculation for CH₂FCl (fluorochloromethane)