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	hartrees
Energy at 0K	-599.399566
Energy at 298.15K	-599.402233
Nuclear repulsion energy	101.370677

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3111	2982	31.56
2	A'	1514	1451	0.43
3	A'	1401	1343	51.71
4	A'	1117	1071	185.03
5	A'	749	718	109.59
6	A'	386	370	1.27
7	A"	3191	3059	17.29
8	A"	1278	1225	4.14
9	A"	1023	981	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.806	0.000
F2	1.352	0.760	0.000
Cl3	-0.675	-0.840	0.000
H4	-0.343	1.303	0.904
H5	-0.343	1.303	-0.904

	C1	F2	Cl3	H4	H5
C1		1.3527	1.7795	1.0869	1.0869
F2	1.3527		2.5826	1.9963	1.9963
Cl3	1.7795	2.5826		2.3496	2.3496
H4	1.0869	1.9963	2.3496		1.8074
H5	1.0869	1.9963	2.3496	1.8074

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	110.340	F2	C1	H4	109.340
F2	C1	H5	109.340	Cl3	C1	H4	107.649
Cl3	C1	H5	107.649	H4	C1	H5	112.496

All results from a given calculation for CH₂FCl (fluorochloromethane)

using model chemistry: B1B95/6-311G*

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	-0.200
2	F	-0.214
3	Cl	-0.088
4	H	0.251
5	H	0.251

	x	y	z	Total
	-0.971	1.754	0.000	2.005
CHELPG
AIM
ESP

	x	y	z
x	2.855	0.813	0.000
y	0.813	4.149	0.000
z	0.000	0.000	2.361

<r²>	65.611
(<r²>)^1/2	8.100

All results from a given calculation for CH2FCl (fluorochloromethane)

using model chemistry: B1B95/6-311G*

States and conformations

All results from a given calculation for CH₂FCl (fluorochloromethane)