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	hartrees
Energy at 0K	-2806.168849
Energy at 298.15K	-2806.173752
HF Energy	-2806.168849
Nuclear repulsion energy	259.058252

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3056	2999	19.44
2	A'	1248	1225	82.63
3	A'	1155	1134	248.23
4	A'	696	683	116.61
5	A'	573	562	8.68
6	A'	308	302	1.01
7	A"	1353	1328	48.19
8	A"	1200	1177	161.65
9	A"	304	298	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	-0.425	-0.919	0.000
H2	-1.526	-0.967	0.000
Br3	0.077	0.958	0.000
F4	0.077	-1.503	1.082
F5	0.077	-1.503	-1.082

	C1	H2	Br3	F4	F5
C1		1.1028	1.9424	1.3283	1.3283
H2	1.1028		2.5049	2.0074	2.0074
Br3	1.9424	2.5049		2.6885	2.6885
F4	1.3283	2.0074	2.6885		2.1645
F5	1.3283	2.0074	2.6885	2.1645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.459	H2	C1	F4	110.983
H2	C1	F5	110.983	Br3	C1	F4	109.121
Br3	C1	F5	109.121	F4	C1	F5	109.125

All results from a given calculation for CHBrF₂ (Methane, bromodifluoro-)

using model chemistry: LSDA/6-31G*

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	0.268
2	H	0.197
3	Br	-0.116
4	F	-0.174
5	F	-0.174

	x	y	z	Total
	-1.253	-0.456	0.000	1.333
CHELPG
AIM
ESP

	x	y	z
x	3.562	0.483	0.000
y	0.483	5.673	0.000
z	0.000	0.000	3.537

<r²>	124.308
(<r²>)^1/2	11.149

All results from a given calculation for CHBrF2 (Methane, bromodifluoro-)

using model chemistry: LSDA/6-31G*

States and conformations

All results from a given calculation for CHBrF₂ (Methane, bromodifluoro-)