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	hartrees
Energy at 0K	-2848.132719
Energy at 298.15K	-2848.137114
HF Energy	-2848.132719
Nuclear repulsion energy	309.966217

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3300	3144	19.47
2	A'	1824	1737	249.45
3	A'	1364	1300	137.14
4	A'	1207	1150	138.95
5	A'	988	941	118.73
6	A'	783	746	9.95
7	A'	571	544	3.48
8	A'	377	360	1.11
9	A'	167	159	1.55
10	A"	789	752	49.92
11	A"	618	589	0.67
12	A"	223	213	0.24

Atom	x (Å)	y (Å)
C1	0.000	0.826
C2	1.305	0.598
Br3	-1.263	-0.550
F4	1.881	-0.580
F5	2.204	1.563
H6	-0.383	1.836

	C1	C2	Br3	F4	F5	H6
C1		1.3252	1.8679	2.3483	2.3240	1.0797
C2	1.3252		2.8135	1.3113	1.3184	2.0936
Br3	1.8679	2.8135		3.1439	4.0602	2.5424
F4	2.3483	1.3113	3.1439		2.1674	3.3109
F5	2.3240	1.3184	4.0602	2.1674		2.6019
H6	1.0797	2.0936	2.5424	3.3109	2.6019

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	125.920	C1	C2	F5	123.069
C2	C1	Br3	122.646	C2	C1	H6	120.707
Br3	C1	H6	116.647	F4	C2	F5	111.012

All results from a given calculation for CHBrCF₂ (1-Bromo-2,2-difluoroethylene)

using model chemistry: wB97X-D/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	-0.141
2	C	0.564
3	Br	-0.084
4	F	-0.271
5	F	-0.277
6	H	0.208

	x	y	z	Total
	-0.459	0.946	0.000	1.051
CHELPG
AIM
ESP

	x	y	z
x	8.523	1.150	0.000
y	1.150	6.162	0.000
z	0.000	0.000	4.348

<r²>	212.149
(<r²>)^1/2	14.565

All results from a given calculation for CHBrCF2 (1-Bromo-2,2-difluoroethylene)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for CHBrCF₂ (1-Bromo-2,2-difluoroethylene)