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	hartrees
Energy at 0K	-2683.199945
Energy at 298.15K	-2683.205324
HF Energy	-2683.199945
Nuclear repulsion energy	161.078469

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3218	2872	10.03
2	A'	1636	1460	0.19
3	A'	1424	1271	53.70
4	A'	1204	1075	57.41
5	A'	693	619	33.19
6	A'	326	291	1.53
7	A"	3325	2968	9.78
8	A"	1296	1156	2.82
9	A"	980	875	0.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.509	-1.129	0.000
F2	-0.592	-1.981	0.000
Br3	0.000	0.777	0.000
H4	1.138	-1.300	0.909
H5	1.138	-1.300	-0.909

	C1	F2	Br3	H4	H5
C1		1.3927	1.9734	1.1185	1.1185
F2	1.3927		2.8214	2.0700	2.0700
Br3	1.9734	2.8214		2.5375	2.5375
H4	1.1185	2.0700	2.5375		1.8181
H5	1.1185	2.0700	2.5375	1.8181

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	112.751	F2	C1	H4	110.557
F2	C1	H5	110.557	Br3	C1	H4	107.039
Br3	C1	H5	107.039	H4	C1	H5	108.720

All results from a given calculation for CH₂BrF (Methane, bromofluoro-)

using model chemistry: B3LYP/STO-3G

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	-0.074
2	F	-0.069
3	Br	-0.041
4	H	0.092
5	H	0.092

	x	y	z	Total
	1.016	-1.036	0.000	1.451
CHELPG
AIM
ESP

	x	y	z
x	1.194	-0.298	0.000
y	-0.298	3.250	0.000
z	0.000	0.000	0.924

<r²>	93.016
(<r²>)^1/2	9.644

All results from a given calculation for CH2BrF (Methane, bromofluoro-)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for CH₂BrF (Methane, bromofluoro-)